[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate

C9H18O6S2 — CID 57493581

IUPAC[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCCC1COS(C)(=O)=O
InChIInChI=1S/C9H18O6S2/c1-16(10,11)14-6-8-4-3-5-9(8)7-15-17(2,12)13/h8-9H,3-7H2,1-2H3
InChIKeyRPVVUZPLCARFKW-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.36
Rot. Bonds6

About [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate

[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate (PubChem CID 57493581) has the molecular formula C9H18O6S2 and a molecular weight of 286.37 g/mol. Its IUPAC name is [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate.

Molecular Properties

Compound Name[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate
PubChem CID57493581
Molecular FormulaC9H18O6S2
Molecular Weight286.37 g/mol
Exact Mass286.05
IUPAC Name[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate
SMILESCS(=O)(=O)OCC1CCCC1COS(C)(=O)=O
InChIInChI=1S/C9H18O6S2/c1-16(10,11)14-6-8-4-3-5-9(8)7-15-17(2,12)13/h8-9H,3-7H2,1-2H3
InChIKeyRPVVUZPLCARFKW-UHFFFAOYSA-N
XLogP0.36
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate?
The IUPAC name of [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate (CID 57493581) is [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate.
What is the SMILES notation for [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate?
The canonical SMILES for [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate is CS(=O)(=O)OCC1CCCC1COS(C)(=O)=O.
What is the InChIKey of [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate?
The InChIKey is RPVVUZPLCARFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6S2/c1-16(10,11)14-6-8-4-3-5-9(8)7-15-17(2,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate?
[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate has a molecular weight of 286.37 g/mol, XLogP of 0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate is sourced from PubChem (CID 57493581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).