1-(trioxidanylperoxyperoxy)hexadecane

C16H34O7 — CID 141273447

IUPAC1-(trioxidanylperoxyperoxy)hexadecane
SMILESCCCCCCCCCCCCCCCCOOOOOOO
InChIInChI=1S/C16H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-20-22-23-21-19-17/h17H,2-16H2,1H3
InChIKeyZANMWXVEIXWTLO-UHFFFAOYSA-N
MW338.44 g/mol
LogP5.62
Rot. Bonds20

About 1-(trioxidanylperoxyperoxy)hexadecane

1-(trioxidanylperoxyperoxy)hexadecane (PubChem CID 141273447) has the molecular formula C16H34O7 and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-(trioxidanylperoxyperoxy)hexadecane.

Molecular Properties

Compound Name1-(trioxidanylperoxyperoxy)hexadecane
PubChem CID141273447
Molecular FormulaC16H34O7
Molecular Weight338.44 g/mol
Exact Mass338.23
IUPAC Name1-(trioxidanylperoxyperoxy)hexadecane
SMILESCCCCCCCCCCCCCCCCOOOOOOO
InChIInChI=1S/C16H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-20-22-23-21-19-17/h17H,2-16H2,1H3
InChIKeyZANMWXVEIXWTLO-UHFFFAOYSA-N
XLogP5.62
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.44
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(trioxidanylperoxyperoxy)hexadecane 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-hydroperoxyperoxy-22-pentoxydocosane
CID 118460849
1-butylperoxyperoxynonane
CID 90169675
1-(trioxidanyl)tetradecane
CID 90111770
1-propylperoxyperoxydodecane
CID 90108856
1-butoxyperoxynonane
CID 90110144
tridecylperoxyperoxyperoxymethanediol
CID 172677968
1-propoxyperoxyundecane
CID 90109462
heptoxyperoxyperoxy hydrogen carbonate
CID 19818711
1-hydroperoxyperoxyperoxyperoxy-2-methyloctane
CID 89046298
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
undecylperoxyperoxy hydrogen carbonate
CID 18427254
decylperoxyperoxy hydrogen carbonate
CID 22639367

Frequently Asked Questions

What is the IUPAC name of 1-(trioxidanylperoxyperoxy)hexadecane?
The IUPAC name of 1-(trioxidanylperoxyperoxy)hexadecane (CID 141273447) is 1-(trioxidanylperoxyperoxy)hexadecane.
What is the SMILES notation for 1-(trioxidanylperoxyperoxy)hexadecane?
The canonical SMILES for 1-(trioxidanylperoxyperoxy)hexadecane is CCCCCCCCCCCCCCCCOOOOOOO.
What is the InChIKey of 1-(trioxidanylperoxyperoxy)hexadecane?
The InChIKey is ZANMWXVEIXWTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-20-22-23-21-19-17/h17H,2-16H2,1H3.
What are the key properties of 1-(trioxidanylperoxyperoxy)hexadecane?
1-(trioxidanylperoxyperoxy)hexadecane has a molecular weight of 338.44 g/mol, XLogP of 5.62, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trioxidanylperoxyperoxy)hexadecane is sourced from PubChem (CID 141273447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).