Allyl 4-{[1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)ethyloxy]carbonyl}benzoate
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Basic information
- Standard SMILES
C=CCOC(=O)c1ccc(C(=O)OC(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1- InChIKey
KMJMCOVJRRCXOJ-UHFFFAOYSA-N- Molecular formula
- C27H32O4
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- Allyl 4-{[1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)ethyloxy]carbonyl}benzoate
- IUPAC
- 1-O-prop-2-enyl 4-O-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl] benzene-1,4-dicarboxylate
Names & synonyms
SCHEMBL8839101KMJMCOVJRRCXOJ-UHFFFAOYSA-NAllyl 4-{[1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)ethyloxy]carbonyl}benzoateAllyl (-)-4-{[1-(5,6,7,8-tetrahydro -5,5,8,8-tetramethyl-2-naphthyl) ethyloxy]carbonyl}benzoateAllyl (-)-4-{[1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)ethyloxy]carbonyl}benzoateAllyl 4-{[1-(5,6,7,8-tetrahydro -5,5,8,8-tetramethyl-2-naphthyl) ethyloxy]carbonyl}benzoate
Database identifiers
- PubChem CID
- 21474484
Properties
Computed structural propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 656
Related reactions
8 records
Compound notes
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