7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid
Basic information
- CAS
69251-08-7- Standard SMILES
CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CC2(C)C)=C\C(=O)O- InChIKey
XAETVFCFSFGPDL-ZLLKFVMWSA-N- Molecular formula
- C22H28O2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.20893013
Names & identifiers
- Preferred name
- 7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid
- IUPAC
- (2E,4E,6E)-3-methyl-7-(1,1,3,3-tetramethyl-2H-inden-5-yl)octa-2,4,6-trienoic acid
Names & synonyms
BRN 5973906Ro 13-4306(E,E,E)-7-(2,3-Dihydro-1,1,3,3-tetramethyl-1H-inden-5-yl)-3-methyl-2,4,6-octatrienoic acid7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3-methyl-2,4,6-octatrienoic acidall-trans-3,7-Dimethyl-9-(1,1,3,3-tetramethylindanyl)-2,4,6,8-nonatetraenoic acid(E,E,E)-7-(2,3-Dihydro-1,1,3,3-tetramethyl-1h-inden-5-yl)-3- methyl-2,4,6-octatrienoic acid2,4,6-Octatrienoic acid, 7-(2,3-dihydro-1,1,3,3-tetramethyl-1H-inden-5-yl)-3-methyl-, (E,E,E)-SCHEMBL528639769251-08-7
Database identifiers
- CAS
69251-08-7- PubChem CID
- 6439745
- Nikkaji
- J362.519B
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 575
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Compound notes
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