ethane;hydrogen peroxide;propane

C5H16O2 — CID 142057502

IUPACethane;hydrogen peroxide;propane
SMILESCC.CCC.OO
InChIInChI=1S/C3H8.C2H6.H2O2/c1-3-2;2*1-2/h3H2,1-2H3;1-2H3;1-2H
InChIKeyVUJQDUVJEWAZQZ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.46
Rot. Bonds

About ethane;hydrogen peroxide;propane

ethane;hydrogen peroxide;propane (PubChem CID 142057502) has the molecular formula C5H16O2 and a molecular weight of 108.18 g/mol. Its IUPAC name is ethane;hydrogen peroxide;propane.

Molecular Properties

Compound Nameethane;hydrogen peroxide;propane
PubChem CID142057502
Molecular FormulaC5H16O2
Molecular Weight108.18 g/mol
Exact Mass108.12
IUPAC Nameethane;hydrogen peroxide;propane
SMILESCC.CCC.OO
InChIInChI=1S/C3H8.C2H6.H2O2/c1-3-2;2*1-2/h3H2,1-2H3;1-2H3;1-2H
InChIKeyVUJQDUVJEWAZQZ-UHFFFAOYSA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.46
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;hydrogen peroxide;propane?
The IUPAC name of ethane;hydrogen peroxide;propane (CID 142057502) is ethane;hydrogen peroxide;propane.
What is the SMILES notation for ethane;hydrogen peroxide;propane?
The canonical SMILES for ethane;hydrogen peroxide;propane is CC.CCC.OO.
What is the InChIKey of ethane;hydrogen peroxide;propane?
The InChIKey is VUJQDUVJEWAZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H6.H2O2/c1-3-2;2*1-2/h3H2,1-2H3;1-2H3;1-2H.
What are the key properties of ethane;hydrogen peroxide;propane?
ethane;hydrogen peroxide;propane has a molecular weight of 108.18 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hydrogen peroxide;propane is sourced from PubChem (CID 142057502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).