(3-methoxyoxolan-3-yl)methanesulfonyl chloride

C6H11ClO4S — CID 105468163

IUPAC(3-methoxyoxolan-3-yl)methanesulfonyl chloride
SMILESCOC1(CS(=O)(=O)Cl)CCOC1
InChIInChI=1S/C6H11ClO4S/c1-10-6(2-3-11-4-6)5-12(7,8)9/h2-5H2,1H3
InChIKeyOSWANVQDIYHDMR-UHFFFAOYSA-N
MW214.67 g/mol
LogP0.36
Rot. Bonds3

About (3-methoxyoxolan-3-yl)methanesulfonyl chloride

(3-methoxyoxolan-3-yl)methanesulfonyl chloride (PubChem CID 105468163) has the molecular formula C6H11ClO4S and a molecular weight of 214.67 g/mol. Its IUPAC name is (3-methoxyoxolan-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-methoxyoxolan-3-yl)methanesulfonyl chloride
PubChem CID105468163
Molecular FormulaC6H11ClO4S
Molecular Weight214.67 g/mol
Exact Mass214.01
IUPAC Name(3-methoxyoxolan-3-yl)methanesulfonyl chloride
SMILESCOC1(CS(=O)(=O)Cl)CCOC1
InChIInChI=1S/C6H11ClO4S/c1-10-6(2-3-11-4-6)5-12(7,8)9/h2-5H2,1H3
InChIKeyOSWANVQDIYHDMR-UHFFFAOYSA-N
XLogP0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyoxolan-3-yl)methanesulfonyl chloride?
The IUPAC name of (3-methoxyoxolan-3-yl)methanesulfonyl chloride (CID 105468163) is (3-methoxyoxolan-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (3-methoxyoxolan-3-yl)methanesulfonyl chloride?
The canonical SMILES for (3-methoxyoxolan-3-yl)methanesulfonyl chloride is COC1(CS(=O)(=O)Cl)CCOC1.
What is the InChIKey of (3-methoxyoxolan-3-yl)methanesulfonyl chloride?
The InChIKey is OSWANVQDIYHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO4S/c1-10-6(2-3-11-4-6)5-12(7,8)9/h2-5H2,1H3.
What are the key properties of (3-methoxyoxolan-3-yl)methanesulfonyl chloride?
(3-methoxyoxolan-3-yl)methanesulfonyl chloride has a molecular weight of 214.67 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyoxolan-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 105468163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).