1-octylperoxynonane

C17H36O2 — CID 151564626

IUPAC1-octylperoxynonane
SMILESCCCCCCCCCOOCCCCCCCC
InChIInChI=1S/C17H36O2/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeyQDEFWGYJZUANAU-UHFFFAOYSA-N
MW272.47 g/mol
LogP6.05
Rot. Bonds16

About 1-octylperoxynonane

1-octylperoxynonane (PubChem CID 151564626) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 1-octylperoxynonane.

Molecular Properties

Compound Name1-octylperoxynonane
PubChem CID151564626
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name1-octylperoxynonane
SMILESCCCCCCCCCOOCCCCCCCC
InChIInChI=1S/C17H36O2/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeyQDEFWGYJZUANAU-UHFFFAOYSA-N
XLogP6.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 56.05
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'}

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Related Compounds

1-pentylperoxypentane;sulfane
CID 174916685
1-butylperoxybutane
CID 159275797
1-butylperoxyperoxynonane
CID 90169675
1-butoxyperoxynonane
CID 90110144
1-methylperoxydocosane
CID 173387093
1-methylperoxydecane
CID 20726912
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]dodecane
CID 175686372
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]octane
CID 175685781
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane
CID 175685461
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704

Frequently Asked Questions

What is the IUPAC name of 1-octylperoxynonane?
The IUPAC name of 1-octylperoxynonane (CID 151564626) is 1-octylperoxynonane.
What is the SMILES notation for 1-octylperoxynonane?
The canonical SMILES for 1-octylperoxynonane is CCCCCCCCCOOCCCCCCCC.
What is the InChIKey of 1-octylperoxynonane?
The InChIKey is QDEFWGYJZUANAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-17H2,1-2H3.
What are the key properties of 1-octylperoxynonane?
1-octylperoxynonane has a molecular weight of 272.47 g/mol, XLogP of 6.05, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylperoxynonane is sourced from PubChem (CID 151564626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).