Basic information
- CAS
68957-16-4- Standard SMILES
CCCCCOS(C)(=O)=O- InChIKey
GZQUFIUZBLOTMM-UHFFFAOYSA-N- Molecular formula
- C6H14O3S
- Average molar mass
- 166.24 g/mol
- Monoisotopic mass
- 166.06636531
Names & identifiers
- Preferred name
- Pentyl methanesulfonate
- IUPAC
- pentyl methanesulfonate
Names & synonyms
Pentyl methanesulfonateDTXSID70989833RefChem:1094569DTXCID3014169446968-20-3n-PentylmesylateMethanesulfonic acid, pentyl esterMFCD004651691-Pentylmesylatepentyl mesylatePentylmethanesulfonatePentyl methanesulfonate #
Show more names
SCHEMBL875919SCHEMBL29110600NSC20669NSC-20669AKOS006273669
Database identifiers
- CAS
68957-16-4、6968-20-3- PubChem CID
- 111883
- DTXSID
DTXSID70989833- Nikkaji
- J100.274K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 154
Related reactions
6 records
Compound notes
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