Basic information
- Standard SMILES
C=C1[C@]2(C=C[C@](C)(O)CC2)C(C)=CC[C@]1(C)O- InChIKey
LWILYKOQWHWUQO-KKUMJFAQSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Overview
Scopariol is a tertiary alcohol.
Names & identifiers
- Preferred name
- Scopariol
- IUPAC
- (4S,6R,9R)-1,4,9-trimethyl-5-methylidenespiro[5.5]undeca-1,10-diene-4,9-diol
Names & synonyms
Scopariol(4S,6R,9R)-1,4,9-trimethyl-5-methylidenespiro[5.5]undeca-1,10-diene-4,9-diol(4S,6R,9R)-1,4,9-trimethyl-5-methylidenespiro(5.5)undeca-1,10-diene-4,9-diolRefChem:181955389064-48-6CHEBI:214719
Database identifiers
- ChEBI
CHEBI:214719- Nikkaji
- J1.649.462C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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