1-butylperoxybutane;hydrogen peroxide

C8H20O4 — CID 162033267

IUPAC1-butylperoxybutane;hydrogen peroxide
SMILESCCCCOOCCCC.OO
InChIInChI=1S/C8H18O2.H2O2/c1-3-5-7-9-10-8-6-4-2;1-2/h3-8H2,1-2H3;1-2H
InChIKeyYWHVMBRCXXSPQU-UHFFFAOYSA-N
MW180.24 g/mol
LogP2.55
Rot. Bonds7

About 1-butylperoxybutane;hydrogen peroxide

1-butylperoxybutane;hydrogen peroxide (PubChem CID 162033267) has the molecular formula C8H20O4 and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-butylperoxybutane;hydrogen peroxide.

Molecular Properties

Compound Name1-butylperoxybutane;hydrogen peroxide
PubChem CID162033267
Molecular FormulaC8H20O4
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name1-butylperoxybutane;hydrogen peroxide
SMILESCCCCOOCCCC.OO
InChIInChI=1S/C8H18O2.H2O2/c1-3-5-7-9-10-8-6-4-2;1-2/h3-8H2,1-2H3;1-2H
InChIKeyYWHVMBRCXXSPQU-UHFFFAOYSA-N
XLogP2.55
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butylperoxybutane;hydrogen peroxide with MolForge

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

Launch Full Analysis

Related Compounds

1-butylperoxybutane
CID 159275797
1-butylperoxybutane;hydrate
CID 158567350
1-butylperoxybutane;cyclooctane
CID 140991302
1-octylperoxynonane
CID 151564626
1-pentylperoxypentane;sulfane
CID 174916685
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-(3-ethoxypropylperoxy)butane
CID 154387522
CID 173072980
CID 173072980
1-butylperoxybutane;4,4-dimethylpentanoic acid
CID 158602949
butylperoxycyclopropane
CID 154255203
1-butylperoxyperoxynonane
CID 90169675
1-butoxyperoxynonane
CID 90110144

Frequently Asked Questions

What is the IUPAC name of 1-butylperoxybutane;hydrogen peroxide?
The IUPAC name of 1-butylperoxybutane;hydrogen peroxide (CID 162033267) is 1-butylperoxybutane;hydrogen peroxide.
What is the SMILES notation for 1-butylperoxybutane;hydrogen peroxide?
The canonical SMILES for 1-butylperoxybutane;hydrogen peroxide is CCCCOOCCCC.OO.
What is the InChIKey of 1-butylperoxybutane;hydrogen peroxide?
The InChIKey is YWHVMBRCXXSPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.H2O2/c1-3-5-7-9-10-8-6-4-2;1-2/h3-8H2,1-2H3;1-2H.
What are the key properties of 1-butylperoxybutane;hydrogen peroxide?
1-butylperoxybutane;hydrogen peroxide has a molecular weight of 180.24 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylperoxybutane;hydrogen peroxide is sourced from PubChem (CID 162033267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).