Basic information
- Standard SMILES
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)[O-]- InChIKey
SHGAZHPCJJPHSC-UHFFFAOYSA-M- Molecular formula
- C20H27O2-
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.2011051
Names & identifiers
- Preferred name
- 3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
- IUPAC
- 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Names & synonyms
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoatea retinoatea retinoic acidCHEBI:15036Q271090183,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Database identifiers
- PubChem CID
- 24771817
- ChEBI
CHEBI:15036
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- -1
- Complexity
- 561
Related reactions
1 records
Compound notes
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