1-Butylsulfonyloctane
Basic information
- CAS
7501-95-3- Standard SMILES
CCCCCCCCS(=O)(=O)CCCC- InChIKey
BBNILNUVDMZIQA-UHFFFAOYSA-N- Molecular formula
- C12H26O2S
- Average molar mass
- 234.4 g/mol
- Monoisotopic mass
- 234.16535124
Names & identifiers
- Preferred name
- 1-Butylsulfonyloctane
- IUPAC
- 1-butylsulfonyloctane
Names & synonyms
7501-95-31-butylsulfonyloctaneNSC4033011-(Butane-1-sulfonyl)octaneSCHEMBL8778698DTXSID00323180NSC-403301
Database identifiers
- CAS
7501-95-3- PubChem CID
- 345595
- DTXSID
DTXSID00323180
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
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Related reactions
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Compound notes
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