Cyclopentanol, 2-(1,3-benzodioxol-5-ylmethylene)-
Basic information
- CAS
69920-47-4- Standard SMILES
OC1CCC/C1=C\c1ccc2c(c1)OCO2- InChIKey
PQLVLMKIYAPVBL-UXBLZVDNSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- Cyclopentanol, 2-(1,3-benzodioxol-5-ylmethylene)-
- IUPAC
- (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol
Names & synonyms
Cyclopentanol, 2-(1,3-benzodioxol-5-ylmethylene)-69920-47-4RefChem:10827132-(1,3-Benzodioxol-5-ylmethylene)cyclopentanol
Database identifiers
- CAS
69920-47-4- PubChem CID
- 6447014
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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