(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride

C7H13ClO3S — CID 131172408

IUPAC(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride
SMILESCC1(C)CC(CS(=O)(=O)Cl)CO1
InChIInChI=1S/C7H13ClO3S/c1-7(2)3-6(4-11-7)5-12(8,9)10/h6H,3-5H2,1-2H3
InChIKeyZAWIMJBGSDBOQH-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.37
Rot. Bonds2

About (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride

(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride (PubChem CID 131172408) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride
PubChem CID131172408
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride
SMILESCC1(C)CC(CS(=O)(=O)Cl)CO1
InChIInChI=1S/C7H13ClO3S/c1-7(2)3-6(4-11-7)5-12(8,9)10/h6H,3-5H2,1-2H3
InChIKeyZAWIMJBGSDBOQH-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride?
The IUPAC name of (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride (CID 131172408) is (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride?
The canonical SMILES for (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride is CC1(C)CC(CS(=O)(=O)Cl)CO1.
What is the InChIKey of (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride?
The InChIKey is ZAWIMJBGSDBOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-7(2)3-6(4-11-7)5-12(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride?
(5,5-dimethyloxolan-3-yl)methanesulfonyl chloride has a molecular weight of 212.70 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyloxolan-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 131172408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).