Basic information
- CAS
18508-93-5- Standard SMILES
CC1CCC(OS(C)(=O)=O)CC1- InChIKey
PIYQHONGOGJIQQ-UHFFFAOYSA-N- Molecular formula
- C8H16O3S
- Average molar mass
- 192.28 g/mol
Names & identifiers
- Preferred name
- trans-4-Methylcyclohexanol methanesulfonate
- IUPAC
- (4-methylcyclohexyl) methanesulfonate
Names & synonyms
TRANS-4-METHYLCYCLOHEXANOL METHANESULFONATE18508-92-4(4-methylcyclohexyl) methanesulfonateRel-(1r,4r)-4-methylcyclohexyl methanesulfonatetrans-4-Methyl-cyclohexanol Methanesulfonate4-methylcyclohexyl methanesulfonateSCHEMBL5639385SCHEMBL6132278SCHEMBL6135269PIYQHONGOGJIQQ-OCAPTIKFSA-NPIYQHONGOGJIQQ-UHFFFAOYSA-NPIYQHONGOGJIQQ-ZKCHVHJHSA-N
Show more names
DTXSID301232958AKOS026733960cis-4-methylcyclohexyl methanesulfonatetrans-4-methylcyclohexyl methanesulfonate18508-93-5DB-299320(1s,4s)-4-Methylcyclohexyl methanesulfonatemethanesulfonic acid cis-4-methyl-cyclohexyl ester
Database identifiers
- CAS
18508-93-5- PubChem CID
- 22492941
- DTXSID
DTXSID301232958
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 219
Related reactions
2 records
Compound notes
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