Ethyl 4-[(5-cyclohexyloxy-5,6,7,8-tetrahydro-8,8-dimethyl-naphth-3-yl)ethynyl]benzoate

HCID 15391670

Basic information

Standard SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(OC2CCCCC2)CCC3(C)C)cc1
InChIKey
WDSFNUWYNYJOKB-UHFFFAOYSA-N
Molecular formula
C29H34O3
Average molar mass
430.6 g/mol

Names & identifiers

Preferred name
Ethyl 4-[(5-cyclohexyloxy-5,6,7,8-tetrahydro-8,8-dimethyl-naphth-3-yl)ethynyl]benzoate
IUPAC
ethyl 4-[2-(8-cyclohexyloxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]benzoate

Names & synonyms

SCHEMBL8668398WDSFNUWYNYJOKB-UHFFFAOYSA-NEthyl 4-[(5-cyclohexyloxy-5,6,7,8-tetrahydro-8,8-di-methyl-naphth-3-yl)ethynyl]benzoateEthyl 4-[(5-cyclohexyloxy-5,6,7,8-tetrahydro-8,8-dimethyl-naphth-3-yl)ethynyl]benzoate

Database identifiers

PubChem CID
15391670

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
32

Related reactions

4 records

Linked notes

Loading…