Basic information
- CAS
87316-44-7- Standard SMILES
C/C(=C\c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C- InChIKey
AJYSMFOKGBZPCF-DTQAZKPQSA-N- Molecular formula
- C25H30O2
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.2245802
Names & identifiers
- Preferred name
- 4-(2-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl) benzoic acid
- IUPAC
- 4-[(E)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
Names & synonyms
3-Methyl TTNPBRo 18-6622CHEMBL325054-(2-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl) benzoic acid87316-44-7(E)-4-(2-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)propen-1-yl)benzoic acidBenzoic acid, 4-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl)-, (E)-4-[(E)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acidSCHEMBL3301839AJYSMFOKGBZPCF-DTQAZKPQSA-NBDBM500322214-[(E)-2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)propen-1-yl]benzoicacid
Show more names
(e)-4-[2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-1-propenyl]benzoic acid4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acidE-4-[2-methyl-2-(1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphth-7-yl)-vinyl]-benzoic acid
Database identifiers
- CAS
87316-44-7
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Related reactions
3 records
Compound notes
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