Basic information
- CAS
93981-62-5- Standard SMILES
CC(C)=CCC/C(C)=C/COC(CC(C)CCCC(C)(C)O)OC/C=C(\C)CCC=C(C)C- InChIKey
HAECKZIOHXEQSO-BFNWXZRRSA-N- Molecular formula
- C30H54O3
- Average molar mass
- 462.7 g/mol
- Monoisotopic mass
- 462.40729558
Names & identifiers
- Preferred name
- (E,E)-8,8-Bis((3,7-dimethyl-2,6-octadienyl)oxy)-2,6-dimethyloctan-2-ol
- IUPAC
- 8,8-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dimethyloctan-2-ol
- English name
- (E,E)-8,8-bis[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dimethyloctan-2-ol
- Molecular formula
- C30H54O3
- Molecular weight
- 462.74796
Names & synonyms
EINECS 301-148-193981-62-5(E,E)-8,8-Bis((3,7-dimethyl-2,6-octadienyl)oxy)-2,6-dimethyloctan-2-olHAECKZIOHXEQSO-BFNWXZRRSA-NDTXSID401146186NS000638472-Octanol, 8,8-bis[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dimethyl-, (E,E)-8,8-Bis{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2,6-dimethyloctan-2-ol8,8-Bis[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-2,6-dimethyl-2-octanol(E,E)-8,8-bis[(3,7-dimethyl-2,6-octadienyl)oxy]-2,6-dimethyloctan-2-ol
Database identifiers
- CAS
93981-62-5- PubChem CID
- 6366339
- DTXSID
DTXSID401146186- EC Number
- 301-148-1
- Nikkaji
- J348.889F
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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