(+/-) Ethyl (E)-4-[2-(5,6,7,8-Tetrahydro-5.5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate

HCID 86586453

Basic information

Standard SMILES
CCCOC(=O)C1(O)CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21
InChIKey
ZVIUECQCBDOQCO-BQYQJAHWSA-N
Molecular formula
C27H32O5
Average molar mass
436.5 g/mol

Names & identifiers

Preferred name
(+/-) Ethyl (E)-4-[2-(5,6,7,8-Tetrahydro-5.5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate
IUPAC
propyl 7-[(E)-2-(4-ethoxycarbonylphenyl)ethenyl]-1-hydroxy-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylate

Names & synonyms

ZVIUECQCBDOQCO-BQYQJAHWSA-N(+/-) Ethyl (E)-4- [2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethy1-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy) naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy)-naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate(+/-) Ethyl (E)-4-[2-(5,6,7,8-Tetrahydro-5.5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate(+/-)Ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(methylcarbethoxy)naphthalen-2-yl)ethenyl]benzoate

Database identifiers

PubChem CID
86586453

Properties

Computed structural properties

XLogP
6
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
32

Related reactions

12 records

Linked notes

Loading…