bis(oxiran-2-yl)methyl methanesulfonate

C6H10O5S — CID 18939627

IUPACbis(oxiran-2-yl)methyl methanesulfonate
SMILESCS(=O)(=O)OC(C1CO1)C1CO1
InChIInChI=1S/C6H10O5S/c1-12(7,8)11-6(4-2-9-4)5-3-10-5/h4-6H,2-3H2,1H3
InChIKeyOAVOPJYYYGKIQR-UHFFFAOYSA-N
MW194.21 g/mol
LogP-0.87
Rot. Bonds4

About bis(oxiran-2-yl)methyl methanesulfonate

bis(oxiran-2-yl)methyl methanesulfonate (PubChem CID 18939627) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is bis(oxiran-2-yl)methyl methanesulfonate.

Molecular Properties

Compound Namebis(oxiran-2-yl)methyl methanesulfonate
PubChem CID18939627
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Namebis(oxiran-2-yl)methyl methanesulfonate
SMILESCS(=O)(=O)OC(C1CO1)C1CO1
InChIInChI=1S/C6H10O5S/c1-12(7,8)11-6(4-2-9-4)5-3-10-5/h4-6H,2-3H2,1H3
InChIKeyOAVOPJYYYGKIQR-UHFFFAOYSA-N
XLogP-0.87
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Oxiran-2-yl)propyl methanesulfonate
CID 134849449
(3-Ethyloxiran-2-yl)methyl methanesulfonate
CID 140189642

Frequently Asked Questions

What is the IUPAC name of bis(oxiran-2-yl)methyl methanesulfonate?
The IUPAC name of bis(oxiran-2-yl)methyl methanesulfonate (CID 18939627) is bis(oxiran-2-yl)methyl methanesulfonate.
What is the SMILES notation for bis(oxiran-2-yl)methyl methanesulfonate?
The canonical SMILES for bis(oxiran-2-yl)methyl methanesulfonate is CS(=O)(=O)OC(C1CO1)C1CO1.
What is the InChIKey of bis(oxiran-2-yl)methyl methanesulfonate?
The InChIKey is OAVOPJYYYGKIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S/c1-12(7,8)11-6(4-2-9-4)5-3-10-5/h4-6H,2-3H2,1H3.
What are the key properties of bis(oxiran-2-yl)methyl methanesulfonate?
bis(oxiran-2-yl)methyl methanesulfonate has a molecular weight of 194.21 g/mol, XLogP of -0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxiran-2-yl)methyl methanesulfonate is sourced from PubChem (CID 18939627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).