carbonic acid;dimethyl carbonate;methoxymethane

C6H14O7 — CID 18000522

IUPACcarbonic acid;dimethyl carbonate;methoxymethane
SMILESCOC.COC(=O)OC.O=C(O)O
InChIInChI=1S/C3H6O3.C2H6O.CH2O3/c1-5-3(4)6-2;1-3-2;2-1(3)4/h1-2H3;1-2H3;(H2,2,3,4)
InChIKeyVCGRSVACRAUXJK-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.88
Rot. Bonds

About carbonic acid;dimethyl carbonate;methoxymethane

carbonic acid;dimethyl carbonate;methoxymethane (PubChem CID 18000522) has the molecular formula C6H14O7 and a molecular weight of 198.17 g/mol. Its IUPAC name is carbonic acid;dimethyl carbonate;methoxymethane.

Molecular Properties

Compound Namecarbonic acid;dimethyl carbonate;methoxymethane
PubChem CID18000522
Molecular FormulaC6H14O7
Molecular Weight198.17 g/mol
Exact Mass198.07
IUPAC Namecarbonic acid;dimethyl carbonate;methoxymethane
SMILESCOC.COC(=O)OC.O=C(O)O
InChIInChI=1S/C3H6O3.C2H6O.CH2O3/c1-5-3(4)6-2;1-3-2;2-1(3)4/h1-2H3;1-2H3;(H2,2,3,4)
InChIKeyVCGRSVACRAUXJK-UHFFFAOYSA-N
XLogP0.88
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;dimethyl carbonate;methoxymethane?
The IUPAC name of carbonic acid;dimethyl carbonate;methoxymethane (CID 18000522) is carbonic acid;dimethyl carbonate;methoxymethane.
What is the SMILES notation for carbonic acid;dimethyl carbonate;methoxymethane?
The canonical SMILES for carbonic acid;dimethyl carbonate;methoxymethane is COC.COC(=O)OC.O=C(O)O.
What is the InChIKey of carbonic acid;dimethyl carbonate;methoxymethane?
The InChIKey is VCGRSVACRAUXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H6O.CH2O3/c1-5-3(4)6-2;1-3-2;2-1(3)4/h1-2H3;1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;dimethyl carbonate;methoxymethane?
carbonic acid;dimethyl carbonate;methoxymethane has a molecular weight of 198.17 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;dimethyl carbonate;methoxymethane is sourced from PubChem (CID 18000522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).