2-Methylhept-2-enal
Basic information
- CAS
30567-26-1- Standard SMILES
CCCCC=C(C)C=O- InChIKey
IGNVJMUTQIKSHB-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Overview
2-Methylhept-2-enal has been reported in Zanthoxylum simulans with data available.
Names & identifiers
- Preferred name
- 2-Methylhept-2-enal
- IUPAC
- 2-methylhept-2-enal
- English name
- 2-Methyl-2-heptenal
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
2-METHYLHEPT-2-ENAL30567-26-1DTXSID00952858RefChem:88326DTXCID1013809292-methyl-2-heptenal2-Methyl -2-heptenalSCHEMBL1787244SCHEMBL4145193DB-3034052-Heptenal, 2-methyl-
Database identifiers
- CAS
30567-26-1- PubChem CID
- 534702
- DTXSID
DTXSID00952858
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 3.5 °C · 3.5°C (estimate)
- Boiling point
- 184.35 °C · 184.35°C (estimate)
- Density
- 0.8654 · 0.8654 (estimate)
- refractive index
- 1.4353 · 1.4353 (estimate)
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Related reactions
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Compound notes
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