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
- Formal charge
- 0
- Complexity
- 676
Related reactions
12 records
Linked notes
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