Basic information
- Standard SMILES
COC(=O)c1sc(C(C)O)c2c1CCC2- InChIKey
CCYDXLCXUPOUTN-UHFFFAOYSA-N- Molecular formula
- C11H14O3S
- Average molar mass
- 226.29 g/mol
Names & identifiers
- Preferred name
- 3-(1-hydroxy-ethyl)-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylic acid methyl ester
- IUPAC
- methyl 1-(1-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]thiophene-3-carboxylate
Names & synonyms
SCHEMBL13857963CCYDXLCXUPOUTN-UHFFFAOYSA-NDB-3866933-(1-hydroxy-ethyl)-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylic acid methyl esterMethyl 5,6-dihydro-3-(1-hydroxyethyl)-4H-cyclopenta[c]thiophene-1-carboxylate1414642-78-6
Database identifiers
- PubChem CID
- 71014121
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
6 records
Compound notes
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