6,8a-Dimethyl-3-(propan-2-yl)octahydroazulen-3a(1h)-ol
Basic information
- CAS
22007-94-9- Standard SMILES
CC1CCC2(C)CCC(C(C)C)C2(O)CC1- InChIKey
ZCNVWXMAAJJYAE-UHFFFAOYSA-N- Molecular formula
- C15H28O
- Average molar mass
- 224.38 g/mol
- Monoisotopic mass
- 224.21401551
Names & identifiers
- Preferred name
- 6,8a-Dimethyl-3-(propan-2-yl)octahydroazulen-3a(1h)-ol
- IUPAC
- 6,8a-dimethyl-3-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulen-3a-ol
- English name
- (3R)-2,3,4,5,6,7,8,8a-Octahydro-6α,8aα-dimethyl-3α-(1-methylethyl)azulen-3aα(1H)-ol
- Molecular formula
- C15H28O
- Molecular weight
- 224.38
Names & synonyms
22007-94-96,8a-dimethyl-3-(propan-2-yl)octahydroazulen-3a(1h)-olNSC152473DTXSID20302654NSC-152473Dihydrocarotol(3R)-2,3,4,5,6,7,8,8a-Octahydro-6α,8aα-dimethyl-3α-(1-methylethyl)azulen-3aα(1H)-ol
Database identifiers
- CAS
22007-94-9- PubChem CID
- 289965
- DTXSID
DTXSID20302654
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 131 · 131-133 °C(Press: 11 Torr)
- Density
- 0.944 g/cm³ · 0.9440 g/cm³
- pka
- 15.386 · 15.386±0.70(predicted)
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Related reactions
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Compound notes
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