Basic information
- CAS
18174-13-5- Standard SMILES
C=C(C)C1CC(=O)C2(C)CC(C)=CCC2C1- InChIKey
VGHRNFJTQACVIZ-UHFFFAOYSA-N- Molecular formula
- C15H22O
- Average molar mass
- 218.33 g/mol
- Monoisotopic mass
- 218.16706532
Names & identifiers
- Preferred name
- 3,4,4a,5,8,8a-Hexahydro-7,8a-dimethyl-3-(1-methylvinyl)naphthalen-1(2H)-one
- IUPAC
- 7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-1-one
- English name
- 3,4,4a,5,8,8a-hexahydro-7,8a-dimethyl-3-(1-methylvinyl)naphthalen-1(2H)-one
- Molecular formula
- C15H22O
- Molecular weight
- 218.33
Names & synonyms
18174-13-53,4,4a,5,8,8a-Hexahydro-7,8a-dimethyl-3-(1-methylvinyl)naphthalen-1(2H)-oneEINECS 242-062-37,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-1-oneVGHRNFJTQACVIZ-UHFFFAOYSA-N7,8a-dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,8,8a-hexahydronaphthalen-1(2h)-oneDTXSID40939466NS000554003,4,4a,5,8,8a-Hexahydro-7,8a-dimethyl-3-(1-methylethenyl)naphthalen-1(2H)-one1(2H)-Naphthalenone, 3,4,4a,5,8,8a-hexahydro-7,8a-dimethyl-3-(1-methylethenyl)-
Database identifiers
- CAS
18174-13-5- PubChem CID
- 86671
- DTXSID
DTXSID40939466- EC Number
- 242-062-3
- Nikkaji
- J260.912F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 364
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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