Axerophthene
Basic information
- CAS
6895-29-0- Standard SMILES
C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C- InChIKey
IDMGVRDNZFQORW-JWBAUCAFSA-N- Molecular formula
- C20H30
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.23475096
Overview
Axerophthene is a diterpene that is cyclohexene substituted by a (1Z,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl group at position 2 and by methyl groups at positions 1,3 and 3. It is the parent hydrocarbon on which Vitamin A and other retinoids are based. It is a diterpene and a polyene.
Names & identifiers
- Preferred name
- Axerophthene
- IUPAC
- 2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
- English name
- axerophthene
- Molecular formula
- C20H30
- Molecular weight
- 270.45
Names & synonyms
Axerophthene6895-29-02-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexeneCHEBI:409182-((1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexeneRefChem:115826all-trans axerophtheneCyclohexene, 2-(3,7-dimethyl-1,3,5,7-nonatetraenyl)-1,3,3-trimethyl-, (all-E)-2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-1,3,3-trimethylcyclohexeneRETdeoxyretinolAxerophten
Show more names
2-[(1E,3E,5E,7E)-3,7-Dimethyl-1,3,5,7-nonatetrenyl]-1,3,3-trimethyl-1-cyclohexeneCyclohexene, 2-[(1E,3E,5E,7E)-3,7-dimethyl-1,3,5,7-nonatetraen-1-yl]-1,3,3-trimethyl-
4ede4eej4efg4exz4gkc4i9r4i9sSCHEMBL22048
Database identifiers
- CAS
6895-29-0
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Physicochemical properties
- Melting point
- 76 °C · 76 °C(Solv: acetonitrile (75-05-8))
- Boiling point
- 90 °C · 90 °C
- Density
- 0.893 · 0.893±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
DescriptionAxerophthene is a hydrocarbon analog of retinol.
Additional notes
DefinitionChEBI: Axerophthene is a diterpene that is cyclohexene substituted by a (1Z,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl group at position 2 and by methyl groups at positions 1,3 and 3. It is the parent hydrocarbon on which Vitamin A and other retinoids are based. It is a diterpene and a polyene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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