hydrogen carbonate;methane

C3H6O6-2 — CID 158868110

IUPAChydrogen carbonate;methane
SMILESC.O=C([O-])O.O=C([O-])O
InChIInChI=1S/2CH2O3.CH4/c2*2-1(3)4;/h2*(H2,2,3,4);1H4/p-2
InChIKeyJBMSTCQAXMXPFS-UHFFFAOYSA-L
MW138.07 g/mol
LogP-1.59
Rot. Bonds

About hydrogen carbonate;methane

hydrogen carbonate;methane (PubChem CID 158868110) has the molecular formula C3H6O6-2 and a molecular weight of 138.07 g/mol. Its IUPAC name is hydrogen carbonate;methane.

Molecular Properties

Compound Namehydrogen carbonate;methane
PubChem CID158868110
Molecular FormulaC3H6O6-2
Molecular Weight138.07 g/mol
Exact Mass138.02
IUPAC Namehydrogen carbonate;methane
SMILESC.O=C([O-])O.O=C([O-])O
InChIInChI=1S/2CH2O3.CH4/c2*2-1(3)4;/h2*(H2,2,3,4);1H4/p-2
InChIKeyJBMSTCQAXMXPFS-UHFFFAOYSA-L
XLogP-1.59
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.07
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;methane?
The IUPAC name of hydrogen carbonate;methane (CID 158868110) is hydrogen carbonate;methane.
What is the SMILES notation for hydrogen carbonate;methane?
The canonical SMILES for hydrogen carbonate;methane is C.O=C([O-])O.O=C([O-])O.
What is the InChIKey of hydrogen carbonate;methane?
The InChIKey is JBMSTCQAXMXPFS-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH2O3.CH4/c2*2-1(3)4;/h2*(H2,2,3,4);1H4/p-2.
What are the key properties of hydrogen carbonate;methane?
hydrogen carbonate;methane has a molecular weight of 138.07 g/mol, XLogP of -1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;methane is sourced from PubChem (CID 158868110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).