methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate

C10H18O7S — CID 88501329

IUPACmethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate
SMILESCOC(=O)C(C)(OS(C)(=O)=O)C1COC(C)(C)O1
InChIInChI=1S/C10H18O7S/c1-9(2)15-6-7(16-9)10(3,8(11)14-4)17-18(5,12)13/h7H,6H2,1-5H3
InChIKeySFJMERKABYSPDL-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.05
Rot. Bonds4

About methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate

methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate (PubChem CID 88501329) has the molecular formula C10H18O7S and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate
PubChem CID88501329
Molecular FormulaC10H18O7S
Molecular Weight282.31 g/mol
Exact Mass282.08
IUPAC Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate
SMILESCOC(=O)C(C)(OS(C)(=O)=O)C1COC(C)(C)O1
InChIInChI=1S/C10H18O7S/c1-9(2)15-6-7(16-9)10(3,8(11)14-4)17-18(5,12)13/h7H,6H2,1-5H3
InChIKeySFJMERKABYSPDL-UHFFFAOYSA-N
XLogP0.05
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate?
The IUPAC name of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate (CID 88501329) is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate.
What is the SMILES notation for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate?
The canonical SMILES for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate is COC(=O)C(C)(OS(C)(=O)=O)C1COC(C)(C)O1.
What is the InChIKey of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate?
The InChIKey is SFJMERKABYSPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7S/c1-9(2)15-6-7(16-9)10(3,8(11)14-4)17-18(5,12)13/h7H,6H2,1-5H3.
What are the key properties of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate?
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate has a molecular weight of 282.31 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate is sourced from PubChem (CID 88501329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).