methane;oxaldehyde

C3H6O2 — CID 158933796

IUPACmethane;oxaldehyde
SMILESC.O=CC=O
InChIInChI=1S/C2H2O2.CH4/c3-1-2-4;/h1-2H;1H4
InChIKeyJJJXYOAHHXJUFR-UHFFFAOYSA-N
MW74.08 g/mol
LogP0.02
Rot. Bonds1

About methane;oxaldehyde

methane;oxaldehyde (PubChem CID 158933796) has the molecular formula C3H6O2 and a molecular weight of 74.08 g/mol. Its IUPAC name is methane;oxaldehyde.

Molecular Properties

Compound Namemethane;oxaldehyde
PubChem CID158933796
Molecular FormulaC3H6O2
Molecular Weight74.08 g/mol
Exact Mass74.04
IUPAC Namemethane;oxaldehyde
SMILESC.O=CC=O
InChIInChI=1S/C2H2O2.CH4/c3-1-2-4;/h1-2H;1H4
InChIKeyJJJXYOAHHXJUFR-UHFFFAOYSA-N
XLogP0.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;oxaldehyde?
The IUPAC name of methane;oxaldehyde (CID 158933796) is methane;oxaldehyde.
What is the SMILES notation for methane;oxaldehyde?
The canonical SMILES for methane;oxaldehyde is C.O=CC=O.
What is the InChIKey of methane;oxaldehyde?
The InChIKey is JJJXYOAHHXJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O2.CH4/c3-1-2-4;/h1-2H;1H4.
What are the key properties of methane;oxaldehyde?
methane;oxaldehyde has a molecular weight of 74.08 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;oxaldehyde is sourced from PubChem (CID 158933796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).