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Isopropanolate

An organic compound, C3H7O-, 59.088 g/mol.

verified record, Organic compound

Identifiers

Molecular formula
C₃H₇O-
Molecular weight
59.088 g/mol
Exact mass
59.050238 g/mol
IUPAC name
propan-2-olate
SMILES
CC(C)[O-]
InChI
InChI=1S/C3H7O/c1-3(2)4/h3H,1-2H3/q-1
InChIKey
OGHBATFHNDZKSO-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
59.09 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
59.049689843 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
1.5calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
23.1 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
10calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
0calculated · reference compound database
H-bond acceptors
1calculated · reference compound database
logP
-0.2449calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
23.06 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
0calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
1calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
0calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
15.136 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
1calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.3773calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

    Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

    Structure

    Heavy atoms, hydrogen excluded
    4
    Total atoms, hydrogen included
    11
    Rings
    0
    Aromatic rings
    0
    Stereocentres
    0
    Formal charge
    -1

    The molecule in three dimensions

    Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

    The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

    Reactions it appears in

    No documented reaction with a written procedure and a source involves Isopropanolate yet.

    Other names for it

    The systematic name on this record is propan-2-olate.

    The sources also call it isopropoxide, OGHBATFHNDZKSO-UHFFFAOYSA-N, NS00114705.

    Structurally related

    Nothing structurally close to Isopropanolate has a page here yet.

    Seen alongside it in reaction records

    Molecules that appear in the same recorded reactions as Isopropanolate. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

    1,2-Dichloroethane

    used as a reactant

    C₂H₄Cl₂, 98.96 g/mol.

    1,1-Dichloroethane

    used as a reactant

    C₂H₄Cl₂, 98.96 g/mol.

    (-)-N-Benzyl (4-methylthio-2-oxoazetidin-1-yl)acetamide

    used as a reactant

    C₁₃H₁₆N₂O₂S, 264.35 g/mol.

    Where these values came from

    compound record.

    What this page does not claim

    Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

    Where to next

    More molecules under I

    The rest of this shelf, a hundred names at a time.

    Molar mass calculator

    Work with C3H7O- in a calculation, with every element's contribution shown.

    Molarity calculator

    Grams of Isopropanolate for a volume and a concentration, or the concentration a mass gives.

    Open in ReactionLens

    The full record in the workstation: every atom, every bond, and the reactions it appears in.