Hexanal, 4-methyl-
Basic information
- CAS
41065-97-8- Standard SMILES
CCC(C)CCC=O- InChIKey
GIGNTOMJQYNUNL-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- Hexanal, 4-methyl-
- IUPAC
- 4-methylhexanal
- English name
- 4-Methylhexanal
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
Hexanal, 4-methyl-41065-97-8RefChem:10865674-METHYLHEXANAL4-Methylhexanal #SCHEMBL261739SCHEMBL269579SCHEMBL10960937SCHEMBL27746868SCHEMBL27747483DTXSID90866031AKOS011895255
Show more names
NS00121616
Database identifiers
- CAS
41065-97-8- PubChem CID
- 38756
- DTXSID
DTXSID90866031- Nikkaji
- J99.919I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 59.4
Physicochemical properties
- Melting point
- -43.35 °C · -43.35°C (estimate)
- Boiling point
- 143.73 °C · 143.73°C (estimate)
- Density
- 0.8225 · 0.8225 (estimate)
- refractive index
- 1.4121 · 1.4121 (estimate)
- LogP
- 2.286 · 2.286 (est)
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Related reactions
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Compound notes
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