4-Azulenemethanol, decahydro-8-methyl-2-(1-methylethenyl)-, 4-acetate
Basic information
- CAS
68891-91-8- Standard SMILES
C=C(C)C1CC2C(C)CCCC(COC(C)=O)C2C1- InChIKey
BMQJGVKRKKKNKS-UHFFFAOYSA-N- Molecular formula
- C17H28O2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.20893013
Names & identifiers
- Preferred name
- 4-Azulenemethanol, decahydro-8-methyl-2-(1-methylethenyl)-, 4-acetate
- IUPAC
- (8-methyl-2-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-4-yl)methyl acetate
Names & synonyms
EINECS 272-584-768891-91-84-Azulenemethanol, decahydro-8-methyl-2-(1-methylethenyl)-, acetateDTXSID508875454-Azulenemethanol, decahydro-8-methyl-2-(1-methylethenyl)-, 4-acetate(9-Methylvinyl-6-methylbicyclo(5.3.0)decan-2-yl)methanol acetate (ester)RefChem:97955DTXCID101026836Decahydro-2-isopropenyl-8-methylazulene-4-methyl acetateBMQJGVKRKKKNKS-UHFFFAOYSA-NNS00120448[8-Methyl-2-(prop-1-en-2-yl)decahydroazulen-4-yl]methyl acetate
Database identifiers
- CAS
68891-91-8- PubChem CID
- 111401
- DTXSID
DTXSID50887545- EC Number
- 272-584-7
- Nikkaji
- J52.226K
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Azulenemethanol, decahydro-8-methyl-2-(1-methylethenyl)-, 4-acetate: INACTIVE
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Related reactions
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Compound notes
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