4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol
Basic information
- CAS
85329-35-7- Standard SMILES
C=C(CO)CC(CC(=C)CCS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1- InChIKey
UXQBTNUFIITBHP-UHFFFAOYSA-N- Molecular formula
- C22H26O5S2
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.12216627
Names & identifiers
- Preferred name
- 4,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol
- IUPAC
- 4,8-bis(benzenesulfonyl)-2,6-dimethylideneoctan-1-ol
Names & synonyms
85329-35-7NSC3681704,8-Di(benzenesulfonyl)-2,6-dimethylideneoctan-1-olDTXSID90321034NSC-368170DS-0146574,8-bis(benzenesulfonyl)-2,6-dimethylidene-octan-1-ol
Database identifiers
- CAS
85329-35-7- PubChem CID
- 339876
- DTXSID
DTXSID90321034
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 744
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Compound notes
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