4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3h-3a,7-methanoazulene-1-carboxylic acid
Basic information
- CAS
112667-88-6- Standard SMILES
CC1CCC2CC3=C(C(=O)O)CCC31C2(C)C- InChIKey
MFODEBYPUFXURM-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3h-3a,7-methanoazulene-1-carboxylic acid
- IUPAC
- 10,11,11-trimethyltricyclo[5.3.1.01,5]undec-4-ene-4-carboxylic acid
Names & synonyms
4,9,9-trimethyl-2,4,5,6,7,8-hexahydro-3h-3a,7-methanoazulene-1-carboxylic acidDTXSID70920867
Database identifiers
- CAS
112667-88-6- PubChem CID
- 188673
- DTXSID
DTXSID70920867
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 419
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Compound notes
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