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

C7H14O5S — CID 22308837

IUPACmethyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate
SMILESCOS(=O)(=O)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C7H14O5S/c1-7(2)11-4-6(12-7)5-13(8,9)10-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQGLHVEOOMRISAW-LURJTMIESA-N
MW210.25 g/mol
LogP0.11
Rot. Bonds3

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

methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate (PubChem CID 22308837) has the molecular formula C7H14O5S and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate.

Molecular Properties

Compound Namemethyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate
PubChem CID22308837
Molecular FormulaC7H14O5S
Molecular Weight210.25 g/mol
Exact Mass210.06
IUPAC Namemethyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate
SMILESCOS(=O)(=O)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C7H14O5S/c1-7(2)11-4-6(12-7)5-13(8,9)10-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQGLHVEOOMRISAW-LURJTMIESA-N
XLogP0.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate?
The IUPAC name of methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate (CID 22308837) is methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate.
What is the SMILES notation for methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate?
The canonical SMILES for methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate is COS(=O)(=O)C[C@@H]1COC(C)(C)O1.
What is the InChIKey of methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate?
The InChIKey is QGLHVEOOMRISAW-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O5S/c1-7(2)11-4-6(12-7)5-13(8,9)10-3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate?
methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate has a molecular weight of 210.25 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanesulfonate is sourced from PubChem (CID 22308837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).