ethene;hydrogen peroxide

C8H18O2 — CID 172739502

IUPACethene;hydrogen peroxide
SMILESC=C.C=C.C=C.C=C.OO
InChIInChI=1S/4C2H4.H2O2/c5*1-2/h4*1-2H2;1-2H
InChIKeyIXAHYAJIDXGBJT-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.23
Rot. Bonds

About ethene;hydrogen peroxide

ethene;hydrogen peroxide (PubChem CID 172739502) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is ethene;hydrogen peroxide.

Molecular Properties

Compound Nameethene;hydrogen peroxide
PubChem CID172739502
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Nameethene;hydrogen peroxide
SMILESC=C.C=C.C=C.C=C.OO
InChIInChI=1S/4C2H4.H2O2/c5*1-2/h4*1-2H2;1-2H
InChIKeyIXAHYAJIDXGBJT-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethene;hydrogen peroxide?
The IUPAC name of ethene;hydrogen peroxide (CID 172739502) is ethene;hydrogen peroxide.
What is the SMILES notation for ethene;hydrogen peroxide?
The canonical SMILES for ethene;hydrogen peroxide is C=C.C=C.C=C.C=C.OO.
What is the InChIKey of ethene;hydrogen peroxide?
The InChIKey is IXAHYAJIDXGBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4.H2O2/c5*1-2/h4*1-2H2;1-2H.
What are the key properties of ethene;hydrogen peroxide?
ethene;hydrogen peroxide has a molecular weight of 146.23 g/mol, XLogP of 3.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;hydrogen peroxide is sourced from PubChem (CID 172739502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).