4-ethyl-4-hydroperoxyoctane

C10H22O2 — CID 11182923

IUPAC4-ethyl-4-hydroperoxyoctane
SMILESCCCCC(CC)(CCC)OO
InChIInChI=1S/C10H22O2/c1-4-7-9-10(6-3,12-11)8-5-2/h11H,4-9H2,1-3H3
InChIKeyMIDRAAVCTNRGFS-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.62
Rot. Bonds7

About 4-ethyl-4-hydroperoxyoctane

4-ethyl-4-hydroperoxyoctane (PubChem CID 11182923) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-ethyl-4-hydroperoxyoctane.

Molecular Properties

Compound Name4-ethyl-4-hydroperoxyoctane
PubChem CID11182923
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-ethyl-4-hydroperoxyoctane
SMILESCCCCC(CC)(CCC)OO
InChIInChI=1S/C10H22O2/c1-4-7-9-10(6-3,12-11)8-5-2/h11H,4-9H2,1-3H3
InChIKeyMIDRAAVCTNRGFS-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-hydroperoxyoctane?
The IUPAC name of 4-ethyl-4-hydroperoxyoctane (CID 11182923) is 4-ethyl-4-hydroperoxyoctane.
What is the SMILES notation for 4-ethyl-4-hydroperoxyoctane?
The canonical SMILES for 4-ethyl-4-hydroperoxyoctane is CCCCC(CC)(CCC)OO.
What is the InChIKey of 4-ethyl-4-hydroperoxyoctane?
The InChIKey is MIDRAAVCTNRGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-7-9-10(6-3,12-11)8-5-2/h11H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-4-hydroperoxyoctane?
4-ethyl-4-hydroperoxyoctane has a molecular weight of 174.28 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-hydroperoxyoctane is sourced from PubChem (CID 11182923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).