(6,6-dimethyloxan-2-yl)methanesulfonyl chloride

C8H15ClO3S — CID 126970893

IUPAC(6,6-dimethyloxan-2-yl)methanesulfonyl chloride
SMILESCC1(C)CCCC(CS(=O)(=O)Cl)O1
InChIInChI=1S/C8H15ClO3S/c1-8(2)5-3-4-7(12-8)6-13(9,10)11/h7H,3-6H2,1-2H3
InChIKeyOSVQXXNDTJPXDR-UHFFFAOYSA-N
MW226.72 g/mol
LogP1.90
Rot. Bonds2

About (6,6-dimethyloxan-2-yl)methanesulfonyl chloride

(6,6-dimethyloxan-2-yl)methanesulfonyl chloride (PubChem CID 126970893) has the molecular formula C8H15ClO3S and a molecular weight of 226.72 g/mol. Its IUPAC name is (6,6-dimethyloxan-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(6,6-dimethyloxan-2-yl)methanesulfonyl chloride
PubChem CID126970893
Molecular FormulaC8H15ClO3S
Molecular Weight226.72 g/mol
Exact Mass226.04
IUPAC Name(6,6-dimethyloxan-2-yl)methanesulfonyl chloride
SMILESCC1(C)CCCC(CS(=O)(=O)Cl)O1
InChIInChI=1S/C8H15ClO3S/c1-8(2)5-3-4-7(12-8)6-13(9,10)11/h7H,3-6H2,1-2H3
InChIKeyOSVQXXNDTJPXDR-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyloxan-2-yl)methanesulfonyl chloride?
The IUPAC name of (6,6-dimethyloxan-2-yl)methanesulfonyl chloride (CID 126970893) is (6,6-dimethyloxan-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (6,6-dimethyloxan-2-yl)methanesulfonyl chloride?
The canonical SMILES for (6,6-dimethyloxan-2-yl)methanesulfonyl chloride is CC1(C)CCCC(CS(=O)(=O)Cl)O1.
What is the InChIKey of (6,6-dimethyloxan-2-yl)methanesulfonyl chloride?
The InChIKey is OSVQXXNDTJPXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3S/c1-8(2)5-3-4-7(12-8)6-13(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of (6,6-dimethyloxan-2-yl)methanesulfonyl chloride?
(6,6-dimethyloxan-2-yl)methanesulfonyl chloride has a molecular weight of 226.72 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyloxan-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 126970893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).