(3-ethoxyoxolan-3-yl)methanesulfonyl chloride

C7H13ClO4S — CID 105486078

IUPAC(3-ethoxyoxolan-3-yl)methanesulfonyl chloride
SMILESCCOC1(CS(=O)(=O)Cl)CCOC1
InChIInChI=1S/C7H13ClO4S/c1-2-12-7(3-4-11-5-7)6-13(8,9)10/h2-6H2,1H3
InChIKeyJACKZDXADVKXHW-UHFFFAOYSA-N
MW228.70 g/mol
LogP0.75
Rot. Bonds4

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

(3-ethoxyoxolan-3-yl)methanesulfonyl chloride (PubChem CID 105486078) has the molecular formula C7H13ClO4S and a molecular weight of 228.70 g/mol. Its IUPAC name is (3-ethoxyoxolan-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-ethoxyoxolan-3-yl)methanesulfonyl chloride
PubChem CID105486078
Molecular FormulaC7H13ClO4S
Molecular Weight228.70 g/mol
Exact Mass228.02
IUPAC Name(3-ethoxyoxolan-3-yl)methanesulfonyl chloride
SMILESCCOC1(CS(=O)(=O)Cl)CCOC1
InChIInChI=1S/C7H13ClO4S/c1-2-12-7(3-4-11-5-7)6-13(8,9)10/h2-6H2,1H3
InChIKeyJACKZDXADVKXHW-UHFFFAOYSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyoxolan-3-yl)methanesulfonyl chloride?
The IUPAC name of (3-ethoxyoxolan-3-yl)methanesulfonyl chloride (CID 105486078) is (3-ethoxyoxolan-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (3-ethoxyoxolan-3-yl)methanesulfonyl chloride?
The canonical SMILES for (3-ethoxyoxolan-3-yl)methanesulfonyl chloride is CCOC1(CS(=O)(=O)Cl)CCOC1.
What is the InChIKey of (3-ethoxyoxolan-3-yl)methanesulfonyl chloride?
The InChIKey is JACKZDXADVKXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO4S/c1-2-12-7(3-4-11-5-7)6-13(8,9)10/h2-6H2,1H3.
What are the key properties of (3-ethoxyoxolan-3-yl)methanesulfonyl chloride?
(3-ethoxyoxolan-3-yl)methanesulfonyl chloride has a molecular weight of 228.70 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyoxolan-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 105486078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).