Basic information
- CAS
91267-13-9- Standard SMILES
CCCCS(=O)(=O)C1CCCC1=O- InChIKey
XCTQAWQDXBWPAD-UHFFFAOYSA-N- Molecular formula
- C9H16O3S
- Average molar mass
- 204.29 g/mol
- Monoisotopic mass
- 204.08201537
Names & identifiers
- Preferred name
- 2-(Butylsulfonyl)cyclopentanone
- IUPAC
- 2-butylsulfonylcyclopentan-1-one
Names & synonyms
91267-13-92-(butylsulfonyl)cyclopentanoneNSC1517292-butylsulfonylcyclopentanoneSCHEMBL1041885DTXSID00302516XCTQAWQDXBWPAD-UHFFFAOYSA-NAKOS013964262NSC-1517292-(BUTANE-1-SULFONYL)CYCLOPENTAN-1-ONE
Database identifiers
- CAS
91267-13-9- PubChem CID
- 289555
- DTXSID
DTXSID00302516
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 274
Related reactions
1 records
Compound notes
Loading…