hydrogen peroxide;pentan-3-one

C5H12O3 — CID 18361632

IUPAChydrogen peroxide;pentan-3-one
SMILESCCC(=O)CC.OO
InChIInChI=1S/C5H10O.H2O2/c1-3-5(6)4-2;1-2/h3-4H2,1-2H3;1-2H
InChIKeyGZYNJAULMJBALZ-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.39
Rot. Bonds2

About hydrogen peroxide;pentan-3-one

hydrogen peroxide;pentan-3-one (PubChem CID 18361632) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is hydrogen peroxide;pentan-3-one.

Molecular Properties

Compound Namehydrogen peroxide;pentan-3-one
PubChem CID18361632
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Namehydrogen peroxide;pentan-3-one
SMILESCCC(=O)CC.OO
InChIInChI=1S/C5H10O.H2O2/c1-3-5(6)4-2;1-2/h3-4H2,1-2H3;1-2H
InChIKeyGZYNJAULMJBALZ-UHFFFAOYSA-N
XLogP1.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;pentan-3-one
CID 67378865
pentan-3-one;trihydrochloride
CID 172711203
ethane-1,2-diol;pentan-3-one
CID 87374843
2-methylprop-1-ene;pentan-3-one
CID 174897916
CID 164579168
CID 164579168
1,2-dimethoxyethane;pentan-3-one
CID 87877054
but-2-enoic acid;pentan-3-one
CID 173308572
hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
4,7-dioxononanoic acid
CID 131853038
3,5,7-trioxononanoic acid
CID 71399755
2-methoxy-2-methylpropane;pentan-3-one
CID 87285903
alumane;propanoic acid
CID 173234599

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;pentan-3-one?
The IUPAC name of hydrogen peroxide;pentan-3-one (CID 18361632) is hydrogen peroxide;pentan-3-one.
What is the SMILES notation for hydrogen peroxide;pentan-3-one?
The canonical SMILES for hydrogen peroxide;pentan-3-one is CCC(=O)CC.OO.
What is the InChIKey of hydrogen peroxide;pentan-3-one?
The InChIKey is GZYNJAULMJBALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.H2O2/c1-3-5(6)4-2;1-2/h3-4H2,1-2H3;1-2H.
What are the key properties of hydrogen peroxide;pentan-3-one?
hydrogen peroxide;pentan-3-one has a molecular weight of 120.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;pentan-3-one is sourced from PubChem (CID 18361632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).