(6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride

C6H11ClO4S — CID 155970231

IUPAC(6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride
SMILESCC1COCC(CS(=O)(=O)Cl)O1
InChIInChI=1S/C6H11ClO4S/c1-5-2-10-3-6(11-5)4-12(7,8)9/h5-6H,2-4H2,1H3
InChIKeyGSSLMXCQEJUKEL-UHFFFAOYSA-N
MW214.67 g/mol
LogP0.36
Rot. Bonds2

About (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride

(6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride (PubChem CID 155970231) has the molecular formula C6H11ClO4S and a molecular weight of 214.67 g/mol. Its IUPAC name is (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride
PubChem CID155970231
Molecular FormulaC6H11ClO4S
Molecular Weight214.67 g/mol
Exact Mass214.01
IUPAC Name(6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride
SMILESCC1COCC(CS(=O)(=O)Cl)O1
InChIInChI=1S/C6H11ClO4S/c1-5-2-10-3-6(11-5)4-12(7,8)9/h5-6H,2-4H2,1H3
InChIKeyGSSLMXCQEJUKEL-UHFFFAOYSA-N
XLogP0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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 (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride?
The IUPAC name of (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride (CID 155970231) is (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride?
The canonical SMILES for (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride is CC1COCC(CS(=O)(=O)Cl)O1.
What is the InChIKey of (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride?
The InChIKey is GSSLMXCQEJUKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO4S/c1-5-2-10-3-6(11-5)4-12(7,8)9/h5-6H,2-4H2,1H3.
What are the key properties of (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride?
(6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride has a molecular weight of 214.67 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,4-dioxan-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 155970231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).