Basic information
- CAS
5905-42-0- Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO- InChIKey
BZORESSIXXHLNB-UHFFFAOYSA-N- Molecular formula
- C40H66O
- Average molar mass
- 562.9 g/mol
- Monoisotopic mass
- 562.51136673
Overview
3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol has been reported in Ononis natrix, Escherichia coli, and Arachis hypogaea with data available.
Names & identifiers
- Preferred name
- 3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol
- IUPAC
- 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol
- English name
- 3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaocten-1-ol
- Molecular formula
- C40H66O
- Molecular weight
- 562.95
Names & synonyms
5905-42-03,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-olDTXSID20274281RefChem:91807DTXCID50225761OCTAPRENOLSCHEMBL79443933,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaocten-1-olBetulaprenol-82,6,10,14,18,22,26,30-Dotriacontaoctaen-1-ol, 3,7,11,15,19,23,27,31-octamethyl-, (2Z,6Z,10Z,14Z,18Z,22E,26E)-
Database identifiers
- CAS
5905-42-0- PubChem CID
- 707
- DTXSID
DTXSID20274281
Properties
Computed structural properties
- XLogP
- 14
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 22
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 951
Physicochemical properties
- Boiling point
- 636.2 · 636.2±24.0 °C(Predicted)
- Density
- 0.888 · 0.888±0.06 g/cm3(Predicted)
- pka
- 14.42 · 14.42±0.10(Predicted)
Chemistry & industry
Applications
UsesOctaprenol is an ester product.
Suppliers1 total
Alfa Chemistry1-516-6625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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