acetylene;molecular oxygen

C2H2O2 — CID 54370199

IUPACacetylene;molecular oxygen
SMILESC#C.O=O
InChIInChI=1S/C2H2.O2/c2*1-2/h1-2H;
InChIKeyUSQJJVHHIJQDAE-UHFFFAOYSA-N
MW58.04 g/mol
LogP0.32
Rot. Bonds

About acetylene;molecular oxygen

acetylene;molecular oxygen (PubChem CID 54370199) has the molecular formula C2H2O2 and a molecular weight of 58.04 g/mol. Its IUPAC name is acetylene;molecular oxygen.

Molecular Properties

Compound Nameacetylene;molecular oxygen
PubChem CID54370199
Molecular FormulaC2H2O2
Molecular Weight58.04 g/mol
Exact Mass58.01
IUPAC Nameacetylene;molecular oxygen
SMILESC#C.O=O
InChIInChI=1S/C2H2.O2/c2*1-2/h1-2H;
InChIKeyUSQJJVHHIJQDAE-UHFFFAOYSA-N
XLogP0.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.04
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;molecular oxygen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetylene;methane
CID 20536179
acetylene;methane
CID 158461456
CID 157450299
CID 157450299
acetylene;dihydrate
CID 86182394
molecular oxygen;tetrahydrate
CID 162300735
lithium acetylene
CID 22451030
acetylene;gold
CID 157171931
acetylene;silane
CID 174724950
CID 175844290
CID 175844290
acetylene;argon
CID 173314278
acetylene;helium
CID 23443816
acetylene;methane
CID 158271732

Frequently Asked Questions

What is the IUPAC name of acetylene;molecular oxygen?
The IUPAC name of acetylene;molecular oxygen (CID 54370199) is acetylene;molecular oxygen.
What is the SMILES notation for acetylene;molecular oxygen?
The canonical SMILES for acetylene;molecular oxygen is C#C.O=O.
What is the InChIKey of acetylene;molecular oxygen?
The InChIKey is USQJJVHHIJQDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2.O2/c2*1-2/h1-2H;.
What are the key properties of acetylene;molecular oxygen?
acetylene;molecular oxygen has a molecular weight of 58.04 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;molecular oxygen is sourced from PubChem (CID 54370199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).