Basic information
- Standard SMILES
CCCCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(C)c(C)c1C- InChIKey
YVXLYWIFNQLDJR-UHFFFAOYSA-N- Molecular formula
- C25H34O2
- Average molar mass
- 366.5 g/mol
Names & identifiers
- Preferred name
- 9-(2,3,4,6-Tetramethylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid butyl ester
- IUPAC
- butyl 3,7-dimethyl-9-(2,3,4,6-tetramethylphenyl)nona-2,4,6,8-tetraenoate
Names & synonyms
SCHEMBL10752387YVXLYWIFNQLDJR-UHFFFAOYSA-N9-(2,3,4,6-tetramethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid butyl ester9-(2,3,4,6-tetramethylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid butyl ester
Database identifiers
- PubChem CID
- 54530113
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 579
Related reactions
6 records
Compound notes
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