1-ethylperoxy-14-methylpentadecane

C18H38O2 — CID 175001574

IUPAC1-ethylperoxy-14-methylpentadecane
SMILESCCOOCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C18H38O2/c1-4-19-20-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2)3/h18H,4-17H2,1-3H3
InChIKeyWJYIDPNTAXZFPG-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.29
Rot. Bonds16

About 1-ethylperoxy-14-methylpentadecane

1-ethylperoxy-14-methylpentadecane (PubChem CID 175001574) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-ethylperoxy-14-methylpentadecane.

Molecular Properties

Compound Name1-ethylperoxy-14-methylpentadecane
PubChem CID175001574
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name1-ethylperoxy-14-methylpentadecane
SMILESCCOOCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C18H38O2/c1-4-19-20-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2)3/h18H,4-17H2,1-3H3
InChIKeyWJYIDPNTAXZFPG-UHFFFAOYSA-N
XLogP6.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.29
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-ethoxy-17-methyloctadecane
CID 91042875
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
1-(3-methylbutylperoxy)hexane
CID 87872309
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
diethoxy(6-methylheptoxy)silane
CID 123574274
1-hydroperoxy-6-methylheptane
CID 87470675
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592

Frequently Asked Questions

What is the IUPAC name of 1-ethylperoxy-14-methylpentadecane?
The IUPAC name of 1-ethylperoxy-14-methylpentadecane (CID 175001574) is 1-ethylperoxy-14-methylpentadecane.
What is the SMILES notation for 1-ethylperoxy-14-methylpentadecane?
The canonical SMILES for 1-ethylperoxy-14-methylpentadecane is CCOOCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 1-ethylperoxy-14-methylpentadecane?
The InChIKey is WJYIDPNTAXZFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-4-19-20-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2)3/h18H,4-17H2,1-3H3.
What are the key properties of 1-ethylperoxy-14-methylpentadecane?
1-ethylperoxy-14-methylpentadecane has a molecular weight of 286.50 g/mol, XLogP of 6.29, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylperoxy-14-methylpentadecane is sourced from PubChem (CID 175001574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).