2-ethylperoxy-2,4,4-trimethylpentane

C10H22O2 — CID 141398016

IUPAC2-ethylperoxy-2,4,4-trimethylpentane
SMILESCCOOC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H22O2/c1-7-11-12-10(5,6)8-9(2,3)4/h7-8H2,1-6H3
InChIKeyPCKMMVIAGRXPEG-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.17
Rot. Bonds4

About 2-ethylperoxy-2,4,4-trimethylpentane

2-ethylperoxy-2,4,4-trimethylpentane (PubChem CID 141398016) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-ethylperoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-ethylperoxy-2,4,4-trimethylpentane
PubChem CID141398016
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-ethylperoxy-2,4,4-trimethylpentane
SMILESCCOOC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H22O2/c1-7-11-12-10(5,6)8-9(2,3)4/h7-8H2,1-6H3
InChIKeyPCKMMVIAGRXPEG-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-ethylperoxy-2,4,4-trimethylpentane 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

2-[3,3-dimethyl-2-(2,4,4-trimethylpentan-2-ylperoxy)butan-2-yl]peroxy-2,4,4-trimethylpentane
CID 139945274
2-[2-(2-ethoxyethoxy)ethoxy]-2,4,4-trimethylpentane
CID 164583787
2,2,4-trimethyl-4-[2-methyl-3-(2,4,4-trimethylpentan-2-ylperoxy)pentan-3-yl]peroxypentane
CID 139956856
2,4,4-trimethylpentan-2-yloxy hydrogen carbonate
CID 88797430
3,3-bis(2,4,4-trimethylpentan-2-ylperoxy)octane
CID 139956870
1-[2-(2,4,4-trimethylpentan-2-ylperoxy)butan-2-ylperoxy]butan-2-ol
CID 139970467
(4-ethoxy-2,2,6,6-tetramethylheptan-4-yl)silane
CID 123938104
1-ethoxyperoxyethane-1,1-diol
CID 87123347
2,4,4-trimethylpentan-2-yl 2,2-dimethyl-3-oxo-3-(2,4,4-trimethylpentan-2-ylperoxy)propanoate
CID 154107476
[2,2-dimethyl-3-(2,4,4-trimethylpentan-2-ylperoxycarbonyloxy)propyl] 2,4,4-trimethylpentan-2-yloxy carbonate
CID 14205159
2,4,4-trimethylpentan-2-yloxy 2-[2-oxo-2-(2,4,4-trimethylpentan-2-yloxyperoxy)ethoxy]ethaneperoxoate
CID 161135597
17-ethylperoxy-17-methyltritriacontane
CID 173208911

Frequently Asked Questions

What is the IUPAC name of 2-ethylperoxy-2,4,4-trimethylpentane?
The IUPAC name of 2-ethylperoxy-2,4,4-trimethylpentane (CID 141398016) is 2-ethylperoxy-2,4,4-trimethylpentane.
What is the SMILES notation for 2-ethylperoxy-2,4,4-trimethylpentane?
The canonical SMILES for 2-ethylperoxy-2,4,4-trimethylpentane is CCOOC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-ethylperoxy-2,4,4-trimethylpentane?
The InChIKey is PCKMMVIAGRXPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-7-11-12-10(5,6)8-9(2,3)4/h7-8H2,1-6H3.
What are the key properties of 2-ethylperoxy-2,4,4-trimethylpentane?
2-ethylperoxy-2,4,4-trimethylpentane has a molecular weight of 174.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylperoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 141398016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).