Benzoic acid, 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethenyl)-, (E)-

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Basic information

CAS: 119454-82-9
Standard SMILES: CC1(C)CCC(C)(C)c2cc(/C=C/c3ccc(C(=O)O)cc3)ccc21
InChIKey: KXJOGQVGIGUXDY-AATRIKPKSA-N
Molecular formula: C23H26O2
Average molar mass: 334.4 g/mol
Monoisotopic mass: 334.19328007

Names & identifiers

Preferred name: Benzoic acid, 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethenyl)-, (E)-
IUPAC: 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid

Names & synonyms

CHEMBL12585AGN 191662ANG 191662Benzoic acid, 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethenyl)-, (E)-119454-82-9SCHEMBL1616018KXJOGQVGIGUXDY-AATRIKPKSA-NBDBM502826924-((E)-2-(1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalen-6-yl)vinyl)benzoic acid4-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-benzoic acid4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-benzoic acid

Database identifiers

CAS: 119454-82-9
PubChem CID: 6439770
ChEMBL: CHEMBL12585
Nikkaji: J659.206F

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 508

Related reactions

1 records

New reaction record

HRID 2076431As productuspto-grants-2011_04

Compound notes

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