Benzoic acid, 2-methyl-4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-
Basic information
- CAS
96409-35-7- Standard SMILES
C/C(=C\c1ccc(C(=O)O)c(C)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C- InChIKey
UHVRMEYWALZSNB-DTQAZKPQSA-N- Molecular formula
- C25H30O2
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.2245802
Names & identifiers
- Preferred name
- Benzoic acid, 2-methyl-4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-
- IUPAC
- 2-methyl-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
- English name
- 2-Methyl-4-[(E)-2-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalen)-2-yl]-1-propenyl]benzoic acid
- Molecular formula
- C25H30O2
- Molecular weight
- 0
Names & synonyms
Ro 15-154996409-35-7Benzoic acid, 2-methyl-4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-Ro-15-15492-methyl-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid2-Methyl-4-[(E)-2-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalen)-2-yl]-1-propenyl]benzoic acid
Database identifiers
- CAS
96409-35-7- PubChem CID
- 6439764
- Nikkaji
- J366.855J
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
- 585
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Compound notes
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