3-ethylperoxyperoxytridecane

C15H32O4 — CID 90108380

IUPAC3-ethylperoxyperoxytridecane
SMILESCCCCCCCCCCC(CC)OOOOCC
InChIInChI=1S/C15H32O4/c1-4-7-8-9-10-11-12-13-14-15(5-2)17-19-18-16-6-3/h15H,4-14H2,1-3H3
InChIKeyWAKSBEHODYUIQS-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.13
Rot. Bonds15

About 3-ethylperoxyperoxytridecane

3-ethylperoxyperoxytridecane (PubChem CID 90108380) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-ethylperoxyperoxytridecane.

Molecular Properties

Compound Name3-ethylperoxyperoxytridecane
PubChem CID90108380
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name3-ethylperoxyperoxytridecane
SMILESCCCCCCCCCCC(CC)OOOOCC
InChIInChI=1S/C15H32O4/c1-4-7-8-9-10-11-12-13-14-15(5-2)17-19-18-16-6-3/h15H,4-14H2,1-3H3
InChIKeyWAKSBEHODYUIQS-UHFFFAOYSA-N
XLogP5.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 3-ethylperoxyperoxytridecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxyperoxypentadecane
CID 90109501
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-ethylperoxyperoxytridecane?
The IUPAC name of 3-ethylperoxyperoxytridecane (CID 90108380) is 3-ethylperoxyperoxytridecane.
What is the SMILES notation for 3-ethylperoxyperoxytridecane?
The canonical SMILES for 3-ethylperoxyperoxytridecane is CCCCCCCCCCC(CC)OOOOCC.
What is the InChIKey of 3-ethylperoxyperoxytridecane?
The InChIKey is WAKSBEHODYUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-4-7-8-9-10-11-12-13-14-15(5-2)17-19-18-16-6-3/h15H,4-14H2,1-3H3.
What are the key properties of 3-ethylperoxyperoxytridecane?
3-ethylperoxyperoxytridecane has a molecular weight of 276.42 g/mol, XLogP of 5.13, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylperoxyperoxytridecane is sourced from PubChem (CID 90108380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).