dimethyl carbonate;dimethyl sulfate;methane

C6H16O7S — CID 159747638

IUPACdimethyl carbonate;dimethyl sulfate;methane
SMILESC.COC(=O)OC.COS(=O)(=O)OC
InChIInChI=1S/C3H6O3.C2H6O4S.CH4/c1-5-3(4)6-2;1-5-7(3,4)6-2;/h1-2H3;1-2H3;1H4
InChIKeyNDFYUQSSCQWYMX-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.56
Rot. Bonds2

About dimethyl carbonate;dimethyl sulfate;methane

dimethyl carbonate;dimethyl sulfate;methane (PubChem CID 159747638) has the molecular formula C6H16O7S and a molecular weight of 232.25 g/mol. Its IUPAC name is dimethyl carbonate;dimethyl sulfate;methane.

Molecular Properties

Compound Namedimethyl carbonate;dimethyl sulfate;methane
PubChem CID159747638
Molecular FormulaC6H16O7S
Molecular Weight232.25 g/mol
Exact Mass232.06
IUPAC Namedimethyl carbonate;dimethyl sulfate;methane
SMILESC.COC(=O)OC.COS(=O)(=O)OC
InChIInChI=1S/C3H6O3.C2H6O4S.CH4/c1-5-3(4)6-2;1-5-7(3,4)6-2;/h1-2H3;1-2H3;1H4
InChIKeyNDFYUQSSCQWYMX-UHFFFAOYSA-N
XLogP0.56
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;dimethyl sulfate;methane?
The IUPAC name of dimethyl carbonate;dimethyl sulfate;methane (CID 159747638) is dimethyl carbonate;dimethyl sulfate;methane.
What is the SMILES notation for dimethyl carbonate;dimethyl sulfate;methane?
The canonical SMILES for dimethyl carbonate;dimethyl sulfate;methane is C.COC(=O)OC.COS(=O)(=O)OC.
What is the InChIKey of dimethyl carbonate;dimethyl sulfate;methane?
The InChIKey is NDFYUQSSCQWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H6O4S.CH4/c1-5-3(4)6-2;1-5-7(3,4)6-2;/h1-2H3;1-2H3;1H4.
What are the key properties of dimethyl carbonate;dimethyl sulfate;methane?
dimethyl carbonate;dimethyl sulfate;methane has a molecular weight of 232.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;dimethyl sulfate;methane is sourced from PubChem (CID 159747638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).