1-(5,5-diethylheptylperoxy)-5,5-diethylheptane

C22H46O2 — CID 57309065

IUPAC1-(5,5-diethylheptylperoxy)-5,5-diethylheptane
SMILESCCC(CC)(CC)CCCCOOCCCCC(CC)(CC)CC
InChIInChI=1S/C22H46O2/c1-7-21(8-2,9-3)17-13-15-19-23-24-20-16-14-18-22(10-4,11-5)12-6/h7-20H2,1-6H3
InChIKeyONQHGMBNCKCECO-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.71
Rot. Bonds17

About 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane

1-(5,5-diethylheptylperoxy)-5,5-diethylheptane (PubChem CID 57309065) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane.

Molecular Properties

Compound Name1-(5,5-diethylheptylperoxy)-5,5-diethylheptane
PubChem CID57309065
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Name1-(5,5-diethylheptylperoxy)-5,5-diethylheptane
SMILESCCC(CC)(CC)CCCCOOCCCCC(CC)(CC)CC
InChIInChI=1S/C22H46O2/c1-7-21(8-2,9-3)17-13-15-19-23-24-20-16-14-18-22(10-4,11-5)12-6/h7-20H2,1-6H3
InChIKeyONQHGMBNCKCECO-UHFFFAOYSA-N
XLogP7.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5,5-diethylheptylperoxy)-5,5-diethylheptane 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

10,10-diethyl-1-(trioxidanyl)dodecane
CID 140733466
4,4-diethylhexoxysilane
CID 123746952
7,7-diethylnonyl acetate
CID 161418665
13,13-dibutyl-1-(trioxidanyl)heptadecane
CID 140639980
1-chloro-8,8-diethyldecane
CID 141051096
18,18-diethylicosan-1-amine
CID 87504312
1-bromo-16,16-diethyloctadecane
CID 141121710
1-heptoxy-1-hexoxy-9-octylperoxy-1-pentoxynonane
CID 141003056
4,4-diethylhexyl acetate
CID 150852527
1-(5,5-dihydroperoxyhexylperoxy)-5,5-dihydroperoxyhexane
CID 142738509
1-octylperoxynonane
CID 151564626
1-pentylperoxypentane;sulfane
CID 174916685

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane?
The IUPAC name of 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane (CID 57309065) is 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane.
What is the SMILES notation for 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane?
The canonical SMILES for 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane is CCC(CC)(CC)CCCCOOCCCCC(CC)(CC)CC.
What is the InChIKey of 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane?
The InChIKey is ONQHGMBNCKCECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2/c1-7-21(8-2,9-3)17-13-15-19-23-24-20-16-14-18-22(10-4,11-5)12-6/h7-20H2,1-6H3.
What are the key properties of 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane?
1-(5,5-diethylheptylperoxy)-5,5-diethylheptane has a molecular weight of 342.61 g/mol, XLogP of 7.71, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-diethylheptylperoxy)-5,5-diethylheptane is sourced from PubChem (CID 57309065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).