hydrogen peroxide;propane

C3H10O2 — CID 18348147

IUPAChydrogen peroxide;propane
SMILESCCC.OO
InChIInChI=1S/C3H8.H2O2/c1-3-2;1-2/h3H2,1-2H3;1-2H
InChIKeyUSEYKWSECDHLAT-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.43
Rot. Bonds

About hydrogen peroxide;propane

hydrogen peroxide;propane (PubChem CID 18348147) has the molecular formula C3H10O2 and a molecular weight of 78.11 g/mol. Its IUPAC name is hydrogen peroxide;propane.

Molecular Properties

Compound Namehydrogen peroxide;propane
PubChem CID18348147
Molecular FormulaC3H10O2
Molecular Weight78.11 g/mol
Exact Mass78.07
IUPAC Namehydrogen peroxide;propane
SMILESCCC.OO
InChIInChI=1S/C3H8.H2O2/c1-3-2;1-2/h3H2,1-2H3;1-2H
InChIKeyUSEYKWSECDHLAT-UHFFFAOYSA-N
XLogP1.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze hydrogen peroxide;propane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;propane?
The IUPAC name of hydrogen peroxide;propane (CID 18348147) is hydrogen peroxide;propane.
What is the SMILES notation for hydrogen peroxide;propane?
The canonical SMILES for hydrogen peroxide;propane is CCC.OO.
What is the InChIKey of hydrogen peroxide;propane?
The InChIKey is USEYKWSECDHLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.H2O2/c1-3-2;1-2/h3H2,1-2H3;1-2H.
What are the key properties of hydrogen peroxide;propane?
hydrogen peroxide;propane has a molecular weight of 78.11 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;propane is sourced from PubChem (CID 18348147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).