Basic information
- Standard SMILES
CC1=CC[C@@H](C/C=C(\C)CO)C1(C)C- InChIKey
MTVBNJVZZAQKRV-SBKJXLNCSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- (E)-(S)-2-Methyl-4-(2,2,3-trimethylcyclopent-3-en-1yl)-2-buten-1-ol
- IUPAC
- (E)-2-methyl-4-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]but-2-en-1-ol
Names & synonyms
SCHEMBL3874313MTVBNJVZZAQKRV-SBKJXLNCSA-N(e)-(s)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol(E)-(S)-2-Methyl-4-(2,2,3-trimethylcyclopent-3-en-1yl)-2-buten-1-ol
Database identifiers
- PubChem CID
- 15330882
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
2 records
Compound notes
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