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

C10H18O7S — CID 88501300

IUPACmethyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate
SMILESCOC(=O)[C@@](C)(OS(C)(=O)=O)[C@@H]1COC(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/t7-,10-/m0/s1
InChIKeySFJMERKABYSPDL-XVKPBYJWSA-N
MW282.31 g/mol
LogP0.05
Rot. Bonds4

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

methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate (PubChem CID 88501300) has the molecular formula C10H18O7S and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate
PubChem CID88501300
Molecular FormulaC10H18O7S
Molecular Weight282.31 g/mol
Exact Mass282.08
IUPAC Namemethyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate
SMILESCOC(=O)[C@@](C)(OS(C)(=O)=O)[C@@H]1COC(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/t7-,10-/m0/s1
InChIKeySFJMERKABYSPDL-XVKPBYJWSA-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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Related Compounds

methyl (4R,5S)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxolane-4-carboxylate
CID 178680752
2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)ethyl methanesulfonate
CID 22639903
2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]ethyl methanesulfonate
CID 58400419
Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxypropanoate
CID 88501329
methyl (4S,5R)-2,2-dimethyl-5-(methylsulfonyloxymethyl)-1,3-dioxolane-4-carboxylate
CID 89425681
methyl 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate
CID 11807683
methyl (2R)-2-acetyloxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 12027170
methyl (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxyacetate
CID 101635973

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate?
The IUPAC name of methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate (CID 88501300) is methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate.
What is the SMILES notation for methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate?
The canonical SMILES for methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate is COC(=O)[C@@](C)(OS(C)(=O)=O)[C@@H]1COC(C)(C)O1.
What is the InChIKey of methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate?
The InChIKey is SFJMERKABYSPDL-XVKPBYJWSA-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/t7-,10-/m0/s1.
What are the key properties of methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate?
methyl (2S)-2-[(4S)-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 (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfonyloxypropanoate is sourced from PubChem (CID 88501300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).