1-Heptacosene
Basic information
- CAS
15306-27-1- Standard SMILES
C=CCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
YYLACZAXCCJCJO-UHFFFAOYSA-N- Molecular formula
- C27H54
- Average molar mass
- 378.7 g/mol
- Monoisotopic mass
- 378.42255172
Overview
1-heptacosene has been reported in Vanilla madagascariensis, Vanilla tahitensis, and other organisms with data available.
Names & identifiers
- Preferred name
- 1-Heptacosene
- IUPAC
- heptacos-1-ene
- English name
- 1-heptacosene
- Molecular formula
- C27H54
- Molecular weight
- 378.72
Names & synonyms
1-Heptacoseneheptacos-1-eneZQ78CUM5JK15306-27-1DTXSID10165210RefChem:1055495DTXCID8087701HeptacoseneUNII-ZQ78CUM5JKSCHEMBL486876SCHEMBL994440SCHEMBL1548683
Show more names
LMFA11000317Q27295842
Database identifiers
- CAS
15306-27-1- PubChem CID
- 528971
- DTXSID
DTXSID10165210- UNII
- ZQ78CUM5JK
- Nikkaji
- J2.052.238K
Properties
Computed structural properties
- XLogP
- 14.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 24
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Melting point
- 54.7 °C · 54.7°C
- Boiling point
- 416.75 °C · 416.75°C (estimate)
- Density
- 0.805 · 0.8050 (estimate)
- refractive index
- 1.4677 · 1.4677 (estimate)
- LogP
- 14.055 · 14.055 (est)
- FDA UNII
- 78 CUM5JK · ZQ78CUM5JK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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