formic acid;methane

C7H24O4 — CID 174325253

IUPACformic acid;methane
SMILESC.C.C.C.C.O=CO.O=CO
InChIInChI=1S/2CH2O2.5CH4/c2*2-1-3;;;;;/h2*1H,(H,2,3);5*1H4
InChIKeyCOXITLJOYNJWIC-UHFFFAOYSA-N
MW172.26 g/mol
LogP2.58
Rot. Bonds

About formic acid;methane

formic acid;methane (PubChem CID 174325253) has the molecular formula C7H24O4 and a molecular weight of 172.26 g/mol. Its IUPAC name is formic acid;methane.

Molecular Properties

Compound Nameformic acid;methane
PubChem CID174325253
Molecular FormulaC7H24O4
Molecular Weight172.26 g/mol
Exact Mass172.17
IUPAC Nameformic acid;methane
SMILESC.C.C.C.C.O=CO.O=CO
InChIInChI=1S/2CH2O2.5CH4/c2*2-1-3;;;;;/h2*1H,(H,2,3);5*1H4
InChIKeyCOXITLJOYNJWIC-UHFFFAOYSA-N
XLogP2.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;methane?
The IUPAC name of formic acid;methane (CID 174325253) is formic acid;methane.
What is the SMILES notation for formic acid;methane?
The canonical SMILES for formic acid;methane is C.C.C.C.C.O=CO.O=CO.
What is the InChIKey of formic acid;methane?
The InChIKey is COXITLJOYNJWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2O2.5CH4/c2*2-1-3;;;;;/h2*1H,(H,2,3);5*1H4.
What are the key properties of formic acid;methane?
formic acid;methane has a molecular weight of 172.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methane is sourced from PubChem (CID 174325253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).