3-ethoxyperoxypentadecane

C17H36O3 — CID 90109501

IUPAC3-ethoxyperoxypentadecane
SMILESCCCCCCCCCCCCC(CC)OOOCC
InChIInChI=1S/C17H36O3/c1-4-7-8-9-10-11-12-13-14-15-16-17(5-2)19-20-18-6-3/h17H,4-16H2,1-3H3
InChIKeySLMMPYMMZQRSCY-UHFFFAOYSA-N
MW288.47 g/mol
LogP5.98
Rot. Bonds16

About 3-ethoxyperoxypentadecane

3-ethoxyperoxypentadecane (PubChem CID 90109501) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 3-ethoxyperoxypentadecane.

Molecular Properties

Compound Name3-ethoxyperoxypentadecane
PubChem CID90109501
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name3-ethoxyperoxypentadecane
SMILESCCCCCCCCCCCCC(CC)OOOCC
InChIInChI=1S/C17H36O3/c1-4-7-8-9-10-11-12-13-14-15-16-17(5-2)19-20-18-6-3/h17H,4-16H2,1-3H3
InChIKeySLMMPYMMZQRSCY-UHFFFAOYSA-N
XLogP5.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
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

3-ethylperoxyperoxytridecane
CID 90108380
3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane
CID 174798806
3-hydroperoxyperoxytetradecane
CID 140639805
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
5-butoxyperoxydecane
CID 90111199
9-ethoxyoctadecane
CID 87148376
di(tricosan-3-yloxy)silane
CID 173236024
4-hydroperoxyperoxyundecane
CID 141347874
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
3-hydroperoxyoctane
CID 22268892

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyperoxypentadecane?
The IUPAC name of 3-ethoxyperoxypentadecane (CID 90109501) is 3-ethoxyperoxypentadecane.
What is the SMILES notation for 3-ethoxyperoxypentadecane?
The canonical SMILES for 3-ethoxyperoxypentadecane is CCCCCCCCCCCCC(CC)OOOCC.
What is the InChIKey of 3-ethoxyperoxypentadecane?
The InChIKey is SLMMPYMMZQRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-4-7-8-9-10-11-12-13-14-15-16-17(5-2)19-20-18-6-3/h17H,4-16H2,1-3H3.
What are the key properties of 3-ethoxyperoxypentadecane?
3-ethoxyperoxypentadecane has a molecular weight of 288.47 g/mol, XLogP of 5.98, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyperoxypentadecane is sourced from PubChem (CID 90109501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).