Basic information
- Standard SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3=O)cc1- InChIKey
RCXZVAFZECFUGZ-UHFFFAOYSA-N- Molecular formula
- C23H22O3
- Average molar mass
- 346.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate
- IUPAC
- ethyl 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate
Names & synonyms
SCHEMBL5737002RCXZVAFZECFUGZ-UHFFFAOYSA-N4(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)-benzoic acid ethyl ester4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl ester4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-ylethynyl)-benzoic acid ethyl esterethyl 4- [(5,6,7,8-tetrahydro-8,8-dimethyl -5-oxonaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8,tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl )ethynyl]benzoateethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl) ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-vl-ethynyl)-benzoic acid ethyl ester4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-benzoic acid ethyl ester
Show more names
4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene -2-yl-ethynyl)-benzoic acid ethyl ester4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 15345545
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 597
Related reactions
102 records
Linked notes
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