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
- Formal charge
- 0
- Complexity
- 514
Related reactions
11 records
Linked notes
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