4-propoxyperoxy-4-propylundecane

C17H36O3 — CID 90111680

IUPAC4-propoxyperoxy-4-propylundecane
SMILESCCCCCCCC(CCC)(CCC)OOOCCC
InChIInChI=1S/C17H36O3/c1-5-9-10-11-12-15-17(13-6-2,14-7-3)19-20-18-16-8-4/h5-16H2,1-4H3
InChIKeyGTTKOPJWQUEIKD-UHFFFAOYSA-N
MW288.47 g/mol
LogP5.98
Rot. Bonds15

About 4-propoxyperoxy-4-propylundecane

4-propoxyperoxy-4-propylundecane (PubChem CID 90111680) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 4-propoxyperoxy-4-propylundecane.

Molecular Properties

Compound Name4-propoxyperoxy-4-propylundecane
PubChem CID90111680
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name4-propoxyperoxy-4-propylundecane
SMILESCCCCCCCC(CCC)(CCC)OOOCCC
InChIInChI=1S/C17H36O3/c1-5-9-10-11-12-15-17(13-6-2,14-7-3)19-20-18-16-8-4/h5-16H2,1-4H3
InChIKeyGTTKOPJWQUEIKD-UHFFFAOYSA-N
XLogP5.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-propoxyperoxy-4-propylhexadecane
CID 90111121
5-butoxyperoxy-5-butylheptadecane
CID 90109900
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
4-hydroperoxyperoxy-4-propylpentadecane
CID 140640166
5-butyl-5-hydroperoxyperoxyhexadecane
CID 140639997
10-methoxy-10-propylicosane
CID 158279749
10-methoxy-10-propyltricosane
CID 159618690
1-propoxyperoxyundecane
CID 90109462
1-propylperoxyperoxydodecane
CID 90108856
3-ethyl-3-hydroperoxyperoxyundecane
CID 140733468
10-decoxy-10-nonylnonadecane
CID 150430521
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502

Frequently Asked Questions

What is the IUPAC name of 4-propoxyperoxy-4-propylundecane?
The IUPAC name of 4-propoxyperoxy-4-propylundecane (CID 90111680) is 4-propoxyperoxy-4-propylundecane.
What is the SMILES notation for 4-propoxyperoxy-4-propylundecane?
The canonical SMILES for 4-propoxyperoxy-4-propylundecane is CCCCCCCC(CCC)(CCC)OOOCCC.
What is the InChIKey of 4-propoxyperoxy-4-propylundecane?
The InChIKey is GTTKOPJWQUEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-5-9-10-11-12-15-17(13-6-2,14-7-3)19-20-18-16-8-4/h5-16H2,1-4H3.
What are the key properties of 4-propoxyperoxy-4-propylundecane?
4-propoxyperoxy-4-propylundecane has a molecular weight of 288.47 g/mol, XLogP of 5.98, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxyperoxy-4-propylundecane is sourced from PubChem (CID 90111680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).