Basic information
- CAS
69121-13-7- Standard SMILES
C=C(C)C1CC2C3CCC(C3)C(COC(C)=O)C2C1- InChIKey
UXWPXANNVJOPOE-UHFFFAOYSA-N- Molecular formula
- C17H26O2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.19328007
Names & identifiers
- Preferred name
- 4,7-Methanoazulene-8-methanol, decahydro-2-(1-methylethenyl)-, 8-acetate
- IUPAC
- (4-prop-1-en-2-yl-7-tricyclo[6.2.1.02,6]undecanyl)methyl acetate
Names & synonyms
4,7-Methanoazulene-8-methanol, decahydro-2-(1-methylethenyl)-, acetateEINECS 273-878-869121-13-7DTXSID308678054,7-Methanoazulene-8-methanol, decahydro-2-(1-methylethenyl)-, 8-acetate5-(1-Methylvinyl)tricyclo(6.2.1.03,7)undecan-2-yl methanol acetateRefChem:96771DTXCID90815963Decahydro-2-isopropenyl-4,7-methanoazulene-8-methyl acetateUXWPXANNVJOPOE-UHFFFAOYSA-NNS00125855[2-(prop-1-en-2-yl)decahydro-4,7-methanoazulen-8-yl]methyl acetate
Database identifiers
- CAS
69121-13-7- PubChem CID
- 112140
- DTXSID
DTXSID30867805- EC Number
- 273-878-8
- Nikkaji
- J52.231G
Properties
Computed structural properties
- XLogP
- 5
- 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
- 387
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 4,7-Methanoazulene-8-methanol, decahydro-2-(1-methylethenyl)-, acetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,7-Methanoazulene-8-methanol, decahydro-2-(1-methylethenyl)-, 8-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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