Basic information
- Standard SMILES
CCC(C)(O)C#Cc1ccc(C(CC2CCCC2)C(=O)OC)cc1- InChIKey
BKBMBFSYOFICDG-UHFFFAOYSA-N- Molecular formula
- C21H28O3
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- 3-Cyclopentyl-2-[4-(3-hydroxy-3-methyl-pent-1-ynyl)-phenyl]-propionic acid methyl ester
- IUPAC
- methyl 3-cyclopentyl-2-[4-(3-hydroxy-3-methylpent-1-ynyl)phenyl]propanoate
Names & synonyms
SCHEMBL2651862BKBMBFSYOFICDG-UHFFFAOYSA-N3-cyclopentyl-2-[4-(3-hydroxy-3-methyl-pent-1-ynyl)-phenyl]-propionic acid methyl ester
Database identifiers
- PubChem CID
- 67484106
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
4 records
Compound notes
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