hydrogen peroxide;2-methylpropanal

C4H10O3 — CID 174448714

IUPAChydrogen peroxide;2-methylpropanal
SMILESCC(C)C=O.OO
InChIInChI=1S/C4H8O.H2O2/c1-4(2)3-5;1-2/h3-4H,1-2H3;1-2H
InChIKeyBJJSOCILIWHZKD-UHFFFAOYSA-N
MW106.12 g/mol
LogP0.86
Rot. Bonds1

About hydrogen peroxide;2-methylpropanal

hydrogen peroxide;2-methylpropanal (PubChem CID 174448714) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is hydrogen peroxide;2-methylpropanal.

Molecular Properties

Compound Namehydrogen peroxide;2-methylpropanal
PubChem CID174448714
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Namehydrogen peroxide;2-methylpropanal
SMILESCC(C)C=O.OO
InChIInChI=1S/C4H8O.H2O2/c1-4(2)3-5;1-2/h3-4H,1-2H3;1-2H
InChIKeyBJJSOCILIWHZKD-UHFFFAOYSA-N
XLogP0.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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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CID 87321410
2-methylpropanal;titanium
CID 87093638
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hydride;2-methylpropanal;rubidium(1+)
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methane;3-methylbutan-2-ol;2-methylpropanal
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2-hydroxy(1,2,3-13C3)propanal
CID 169442815
acetonitrile;2-methylpropanal
CID 174939859
2,4-dimethyl-3-oxopentanedial
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ethane;1-(methylamino)propan-2-one;2-methylpropanal
CID 170710537
2-methylpropanal;styrene
CID 142676014
2,2-dimethylpropanenitrile;methane;2-methylpropanal
CID 159993493
acetic acid;formic acid;hydrogen peroxide
CID 172718921

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-methylpropanal?
The IUPAC name of hydrogen peroxide;2-methylpropanal (CID 174448714) is hydrogen peroxide;2-methylpropanal.
What is the SMILES notation for hydrogen peroxide;2-methylpropanal?
The canonical SMILES for hydrogen peroxide;2-methylpropanal is CC(C)C=O.OO.
What is the InChIKey of hydrogen peroxide;2-methylpropanal?
The InChIKey is BJJSOCILIWHZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.H2O2/c1-4(2)3-5;1-2/h3-4H,1-2H3;1-2H.
What are the key properties of hydrogen peroxide;2-methylpropanal?
hydrogen peroxide;2-methylpropanal has a molecular weight of 106.12 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-methylpropanal is sourced from PubChem (CID 174448714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).