3-Methylbutanal
An aldehyde, C5H10O, 86.134 g/mol. Boiling point 92.5 °C, melting point -51 °C, as published.
Identifiers
- Molecular formula
- C₅H₁₀O
- Molecular weight
- 86.134 g/mol
- Exact mass
- 86.073165 g/mol
- IUPAC name
- 3-methylbutanal
- CC(C)CC=O
- InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
- YGHRJJRRZDOVPD-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 198.5 °F at 760 mmHg (USCG, 1999)
- 92.5 °C
- Melting Point
- -60 °F (USCG, 1999)
- -51 °C
- Density
- 0.785 at 68 °F (USCG, 1999) - Less dense than water; will float
- 0.7977 g/cu cm at 20 °C
- Solubility
- Slightly soluble in water; soluble in ethanol, ethyl ether
- Miscible with alcohol, ether
- Vapor Pressure
- 50.0 [mmHg]
- 50 mm Hg at approx 25 °C
- LogP
- 1.31
- 1.3
- Flash Point
- 55 °F (est.) (USCG, 1999)
- 48 °F (9 °C) open cup
- Viscosity
- 0.58 mPa.S at 20 °C
- 0.725 mm²/s at 20 °C
- Refractive Index
- Index of refraction: 1.3902 at 20 °C/D
- 1.387-1.408
Calculated properties
- Molecular weight
- 86.13 g/mol
- Exact mass
- 86.073164938 Da
- XLogP3
- 1
- Polar surface area
- 17.1 Ų
- Complexity
- 39
- H-bond donors
- 0
- H-bond acceptors
- 1
- logP
- 1.2314
- Topological polar surface area
- 17.07 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Rotatable bonds
- 2
- Molar refractivity
- 25.519 cm³/mol
- Fraction sp³ carbons
- 0.8
- QED drug-likeness
- 0.4618
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 6
- Total atoms, hydrogen included
- 16
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Aldehyde
The molecule in three dimensions
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
Other names for it
The systematic name on this record is 3-methylbutanal.
The sources also call it ISOVALERALDEHYDE, 3-Methylbutyraldehyde, Isovaleral, Isopentaldehyde, Butanal, 3-methyl-, Isoamylaldehyde, Isopentanal, Isovalerylaldehyde, Isovaleric aldehyde, beta-Methylbutanal, Isoamyl aldehyde.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as 3-Methylbutanal. 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.
(4-Methanesulfonyl-phenyl)-{6-[1-(3-methyl-butyl)-piperidin-4-yloxy]-5-nitro-pyrimidin-4-yl}-amine
formed as a product
C₂₁H₂₉N₅O₅S, 463.56 g/mol.
1,2-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
(11-Methoxy-11-oxoundecyl)-triphenylphosphanium
used as a reactant
C₃₀H₃₈O₂P+, 461.606 g/mol.
(4-Methanesulfonyl-phenyl)-[5-nitro-6-(piperidin-4-yloxy)-pyrimidin-4-yl]-amine
used as a reactant
C₁₆H₁₉N₅O₅S, 393.425 g/mol.
1'-isopentylspiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one
formed as a product
C₁₇H₂₄N₂O₂, 288.391 g/mol.
Where these values came from
chemistry engine
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 0–9
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C5H10O in a calculation, with every element's contribution shown.
Molarity calculator
Grams of 3-Methylbutanal 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.