methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate

C9H16O7S — CID 11807683

IUPACmethyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate
SMILESCOC(=O)C(OS(C)(=O)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O7S/c1-9(2)14-5-6(15-9)7(8(10)13-3)16-17(4,11)12/h6-7H,5H2,1-4H3/t6-,7?/m1/s1
InChIKeyFGNWYPMPUZKQBI-ULUSZKPHSA-N
MW268.29 g/mol
LogP-0.34
Rot. Bonds4

About methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate

methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate (PubChem CID 11807683) has the molecular formula C9H16O7S and a molecular weight of 268.29 g/mol. Its IUPAC name is methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate.

Molecular Properties

Compound Namemethyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate
PubChem CID11807683
Molecular FormulaC9H16O7S
Molecular Weight268.29 g/mol
Exact Mass268.06
IUPAC Namemethyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate
SMILESCOC(=O)C(OS(C)(=O)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O7S/c1-9(2)14-5-6(15-9)7(8(10)13-3)16-17(4,11)12/h6-7H,5H2,1-4H3/t6-,7?/m1/s1
InChIKeyFGNWYPMPUZKQBI-ULUSZKPHSA-N
XLogP-0.34
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.34
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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate?
The IUPAC name of methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate (CID 11807683) is methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate.
What is the SMILES notation for methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate?
The canonical SMILES for methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate is COC(=O)C(OS(C)(=O)=O)[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate?
The InChIKey is FGNWYPMPUZKQBI-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H16O7S/c1-9(2)14-5-6(15-9)7(8(10)13-3)16-17(4,11)12/h6-7H,5H2,1-4H3/t6-,7?/m1/s1.
What are the key properties of methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate?
methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate has a molecular weight of 268.29 g/mol, XLogP of -0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate is sourced from PubChem (CID 11807683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).