4-(3-Cyclopentyloxy-4-methoxyphenyl)-1,1-(ethylenedioxy)-4-ethynylcyclohexane

HCID 11089596

Basic information

Standard SMILES
C#CC1(c2ccc(OC)c(OC3CCCC3)c2)CCC2(CC1)OCCO2
InChIKey
IYEGKPAYSOWMAQ-UHFFFAOYSA-N
Molecular formula
C22H28O4
Average molar mass
356.5 g/mol

Names & identifiers

Preferred name
4-(3-Cyclopentyloxy-4-methoxyphenyl)-1,1-(ethylenedioxy)-4-ethynylcyclohexane
IUPAC
8-(3-cyclopentyloxy-4-methoxyphenyl)-8-ethynyl-1,4-dioxaspiro[4.5]decane

Names & synonyms

SCHEMBL7378466IYEGKPAYSOWMAQ-UHFFFAOYSA-N4-(3-cyclopentyloxy-4-methoxyphenyl)-1,1-(ethylenedioxy)-4-ethynylcyclohexane4-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethynyl-1,1-(ethylenedioxy)cyclohexane

Database identifiers

PubChem CID
11089596

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
36.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
26

Related reactions

11 records

Linked notes

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