Basic information
- CAS
30412-10-3- Standard SMILES
CS(=O)(=O)OCCCCCCCOS(C)(=O)=O- InChIKey
UMQMIJCGXPPDCZ-UHFFFAOYSA-N- Molecular formula
- C9H20O6S2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.0701307
Names & identifiers
- Preferred name
- 1,7-Heptanediol, dimethanesulfonate
- IUPAC
- 7-methylsulfonyloxyheptyl methanesulfonate
Names & synonyms
1,7-Heptanediol, dimethanesulfonate30412-10-3Heptane dimethanesulphonateSCHEMBL4300371DTXSID20184497heptane-1,7-diyl dimethanesulfonate
Database identifiers
- CAS
30412-10-3- PubChem CID
- 147353
- DTXSID
DTXSID20184497- Nikkaji
- J1.445.412H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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