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

C8H15ClO4S — CID 155970647

IUPAC(2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
SMILESCC1(C)COCC(C)(CS(=O)(=O)Cl)O1
InChIInChI=1S/C8H15ClO4S/c1-7(2)4-12-5-8(3,13-7)6-14(9,10)11/h4-6H2,1-3H3
InChIKeyGMDXSYBLEHLEDR-UHFFFAOYSA-N
MW242.72 g/mol
LogP1.14
Rot. Bonds2

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

(2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride (PubChem CID 155970647) has the molecular formula C8H15ClO4S and a molecular weight of 242.72 g/mol. Its IUPAC name is (2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
PubChem CID155970647
Molecular FormulaC8H15ClO4S
Molecular Weight242.72 g/mol
Exact Mass242.04
IUPAC Name(2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
SMILESCC1(C)COCC(C)(CS(=O)(=O)Cl)O1
InChIInChI=1S/C8H15ClO4S/c1-7(2)4-12-5-8(3,13-7)6-14(9,10)11/h4-6H2,1-3H3
InChIKeyGMDXSYBLEHLEDR-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 137951713
(5,5-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 145874712
(3,3-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 146050056
(6-Methyl-1,4-dioxan-2-yl)methanesulfonylchloride
CID 155970231
[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide
CID 164634173
(2-Methyl-1,4-dioxan-2-yl)methanesulfonylfluoride
CID 138987467
3-[2-(Tert-butoxy)ethoxy]propane-1-sulfonyl fluoride
CID 165478665
(6-Ethyl-6-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
CID 165509115
[6-(Difluoromethyl)-6-methyl-1,4-dioxan-2-yl]methanesulfonyl chloride
CID 165596418
(2,5,5-Trimethyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
CID 165752622
(6,6-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
CID 165868988
(3,3-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
CID 165899428

Frequently Asked Questions

What is the IUPAC name of (2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride?
The IUPAC name of (2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride (CID 155970647) is (2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride?
The canonical SMILES for (2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride is CC1(C)COCC(C)(CS(=O)(=O)Cl)O1.
What is the InChIKey of (2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride?
The InChIKey is GMDXSYBLEHLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO4S/c1-7(2)4-12-5-8(3,13-7)6-14(9,10)11/h4-6H2,1-3H3.
What are the key properties of (2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride?
(2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride has a molecular weight of 242.72 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,6-trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 155970647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).