2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane

C7H14O4S — CID 14522772

IUPAC2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane
SMILESCC1(C)OCC(CS(C)(=O)=O)O1
InChIInChI=1S/C7H14O4S/c1-7(2)10-4-6(11-7)5-12(3,8)9/h6H,4-5H2,1-3H3
InChIKeyAUWGRWKNLRRLQC-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.18
Rot. Bonds2

About 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane

2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane (PubChem CID 14522772) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane
PubChem CID14522772
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane
SMILESCC1(C)OCC(CS(C)(=O)=O)O1
InChIInChI=1S/C7H14O4S/c1-7(2)10-4-6(11-7)5-12(3,8)9/h6H,4-5H2,1-3H3
InChIKeyAUWGRWKNLRRLQC-UHFFFAOYSA-N
XLogP0.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane (CID 14522772) is 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane is CC1(C)OCC(CS(C)(=O)=O)O1.
What is the InChIKey of 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane?
The InChIKey is AUWGRWKNLRRLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-7(2)10-4-6(11-7)5-12(3,8)9/h6H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane?
2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane has a molecular weight of 194.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane is sourced from PubChem (CID 14522772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).