1-tert-butylperoxy-10,10-dimethylundecane

C17H36O2 — CID 150329885

IUPAC1-tert-butylperoxy-10,10-dimethylundecane
SMILESCC(C)(C)CCCCCCCCCOOC(C)(C)C
InChIInChI=1S/C17H36O2/c1-16(2,3)14-12-10-8-7-9-11-13-15-18-19-17(4,5)6/h7-15H2,1-6H3
InChIKeyGPLALOYAMXSSOS-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.90
Rot. Bonds10

About 1-tert-butylperoxy-10,10-dimethylundecane

1-tert-butylperoxy-10,10-dimethylundecane (PubChem CID 150329885) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 1-tert-butylperoxy-10,10-dimethylundecane.

Molecular Properties

Compound Name1-tert-butylperoxy-10,10-dimethylundecane
PubChem CID150329885
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name1-tert-butylperoxy-10,10-dimethylundecane
SMILESCC(C)(C)CCCCCCCCCOOC(C)(C)C
InChIInChI=1S/C17H36O2/c1-16(2,3)14-12-10-8-7-9-11-13-15-18-19-17(4,5)6/h7-15H2,1-6H3
InChIKeyGPLALOYAMXSSOS-UHFFFAOYSA-N
XLogP5.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.90
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

7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
1-hydroperoxyperoxy-9,9-dimethyldecane
CID 140733484
10-tert-butylperoxydecyl(trimethyl)azanium bromide
CID 10361662
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-tert-butylperoxyhexane;sulfino hydrogen sulfite
CID 175112722
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
1-tert-butylperoxy-4-methylpentane
CID 154132694
10,10-dimethylundecyl formate
CID 91170275
10,10-dimethylundecoxyboronic acid
CID 150810313

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylperoxy-10,10-dimethylundecane?
The IUPAC name of 1-tert-butylperoxy-10,10-dimethylundecane (CID 150329885) is 1-tert-butylperoxy-10,10-dimethylundecane.
What is the SMILES notation for 1-tert-butylperoxy-10,10-dimethylundecane?
The canonical SMILES for 1-tert-butylperoxy-10,10-dimethylundecane is CC(C)(C)CCCCCCCCCOOC(C)(C)C.
What is the InChIKey of 1-tert-butylperoxy-10,10-dimethylundecane?
The InChIKey is GPLALOYAMXSSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-16(2,3)14-12-10-8-7-9-11-13-15-18-19-17(4,5)6/h7-15H2,1-6H3.
What are the key properties of 1-tert-butylperoxy-10,10-dimethylundecane?
1-tert-butylperoxy-10,10-dimethylundecane has a molecular weight of 272.47 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylperoxy-10,10-dimethylundecane is sourced from PubChem (CID 150329885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).