Basic information
- Standard SMILES
CS(=O)(=O)OCC12CC3CC(CC(C3)C1)C2- InChIKey
VRBUVHIMZUMFJA-UHFFFAOYSA-N- Molecular formula
- C12H20O3S
- Average molar mass
- 244.35 g/mol
- Monoisotopic mass
- 244.11331567
Names & identifiers
- Preferred name
- 1-Adamantylmethyl methanesulfonate
- IUPAC
- 1-adamantylmethyl methanesulfonate
Names & synonyms
1-adamantylmethyl methanesulfonateSCHEMBL5381825VRBUVHIMZUMFJA-UHFFFAOYSA-NAdamant-1-ylmethyl methanesulfonateadamantan-1-ylmethyl methanesulfonateCCG-47815SR-01000637408-1
Database identifiers
- PubChem CID
- 2801776
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Related reactions
6 records
Compound notes
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