5-ethoxypentaneperoxoic acid

C7H14O4 — CID 59169108

IUPAC5-ethoxypentaneperoxoic acid
SMILESCCOCCCCC(=O)OO
InChIInChI=1S/C7H14O4/c1-2-10-6-4-3-5-7(8)11-9/h9H,2-6H2,1H3
InChIKeyIWKCPLZRARAETQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.21
Rot. Bonds6

About 5-ethoxypentaneperoxoic acid

5-ethoxypentaneperoxoic acid (PubChem CID 59169108) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-ethoxypentaneperoxoic acid.

Molecular Properties

Compound Name5-ethoxypentaneperoxoic acid
PubChem CID59169108
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name5-ethoxypentaneperoxoic acid
SMILESCCOCCCCC(=O)OO
InChIInChI=1S/C7H14O4/c1-2-10-6-4-3-5-7(8)11-9/h9H,2-6H2,1H3
InChIKeyIWKCPLZRARAETQ-UHFFFAOYSA-N
XLogP1.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
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 5-ethoxypentaneperoxoic acid 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

1,9-diethoxynonan-5-one
CID 150666797
10-hydroperoxydecaneperoxoic acid
CID 173162318
methylsilyl 12-ethoxydodecanoate
CID 148919463
octyl 18-ethoxyoctadecanoate
CID 88843598
octyl 5-ethoxypentanoate
CID 134561600
octyl 6-ethoxyhexanoate
CID 134561594
cycloheptyl 6-ethoxyhexanoate
CID 134561724
alumane;hexanediperoxoic acid
CID 173462864
2-methylpropyl 5-ethoxypentanoate
CID 134561758
6-[4-(4-ethoxybutoxy)butoxy]-6-oxohexanoic acid
CID 87459786
propanoyl 4-ethoxybutanoate
CID 174267345
6-ethoxyhexyl 7-sulfanylheptanoate
CID 54496855

Frequently Asked Questions

What is the IUPAC name of 5-ethoxypentaneperoxoic acid?
The IUPAC name of 5-ethoxypentaneperoxoic acid (CID 59169108) is 5-ethoxypentaneperoxoic acid.
What is the SMILES notation for 5-ethoxypentaneperoxoic acid?
The canonical SMILES for 5-ethoxypentaneperoxoic acid is CCOCCCCC(=O)OO.
What is the InChIKey of 5-ethoxypentaneperoxoic acid?
The InChIKey is IWKCPLZRARAETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-10-6-4-3-5-7(8)11-9/h9H,2-6H2,1H3.
What are the key properties of 5-ethoxypentaneperoxoic acid?
5-ethoxypentaneperoxoic acid has a molecular weight of 162.19 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypentaneperoxoic acid is sourced from PubChem (CID 59169108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).