(4,4-dimethyloxolan-2-yl)methanesulfonyl chloride

C7H13ClO3S — CID 126970897

IUPAC(4,4-dimethyloxolan-2-yl)methanesulfonyl chloride
SMILESCC1(C)COC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClO3S/c1-7(2)3-6(11-5-7)4-12(8,9)10/h6H,3-5H2,1-2H3
InChIKeyNOTCUCGOSSWGKT-UHFFFAOYSA-N
MW212.70 g/mol
LogP1.37
Rot. Bonds2

About (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride

(4,4-dimethyloxolan-2-yl)methanesulfonyl chloride (PubChem CID 126970897) has the molecular formula C7H13ClO3S and a molecular weight of 212.70 g/mol. Its IUPAC name is (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4,4-dimethyloxolan-2-yl)methanesulfonyl chloride
PubChem CID126970897
Molecular FormulaC7H13ClO3S
Molecular Weight212.70 g/mol
Exact Mass212.03
IUPAC Name(4,4-dimethyloxolan-2-yl)methanesulfonyl chloride
SMILESCC1(C)COC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C7H13ClO3S/c1-7(2)3-6(11-5-7)4-12(8,9)10/h6H,3-5H2,1-2H3
InChIKeyNOTCUCGOSSWGKT-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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Related Compounds

Oxolan-2-ylmethanesulfonyl chloride
CID 22636887
rac-(2R,3R)-2-methyloxolane-3-sulfonyl chloride
CID 98113531
(3-Methyloxan-3-yl)methanesulfonyl chloride
CID 105466432
rac-((2R,3S)-3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
(3-Methyloxolan-3-yl)methanesulfonyl chloride
CID 115021590
5,5-Dimethyloxolane-3-sulfonyl chloride
CID 126970912
(5,5-Dimethyloxolan-3-yl)methanesulfonyl chloride
CID 131172408
(4-Methyloxolan-2-yl)methanesulfonyl chloride
CID 131627526
(3,3-Dimethyloxolan-2-yl)methanesulfonyl chloride
CID 132371678
2-Methoxy-4,4-dimethylpentane-1-sulfonyl chloride
CID 155822822
5-Methyloxolane-3-sulfonyl chloride
CID 165446323
(4-Methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride
CID 138039662

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride?
The IUPAC name of (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride (CID 126970897) is (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride?
The canonical SMILES for (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride is CC1(C)COC(CS(=O)(=O)Cl)C1.
What is the InChIKey of (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride?
The InChIKey is NOTCUCGOSSWGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO3S/c1-7(2)3-6(11-5-7)4-12(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride?
(4,4-dimethyloxolan-2-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 (4,4-dimethyloxolan-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 126970897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).