4-ethyl-2-hydroperoxyoctane

C10H22O2 — CID 20769705

IUPAC4-ethyl-2-hydroperoxyoctane
SMILESCCCCC(CC)CC(C)OO
InChIInChI=1S/C10H22O2/c1-4-6-7-10(5-2)8-9(3)12-11/h9-11H,4-8H2,1-3H3
InChIKeyCBKGBFLIOPVGIE-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.47
Rot. Bonds7

About 4-ethyl-2-hydroperoxyoctane

4-ethyl-2-hydroperoxyoctane (PubChem CID 20769705) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-ethyl-2-hydroperoxyoctane.

Molecular Properties

Compound Name4-ethyl-2-hydroperoxyoctane
PubChem CID20769705
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-ethyl-2-hydroperoxyoctane
SMILESCCCCC(CC)CC(C)OO
InChIInChI=1S/C10H22O2/c1-4-6-7-10(5-2)8-9(3)12-11/h9-11H,4-8H2,1-3H3
InChIKeyCBKGBFLIOPVGIE-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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-2-hydroperoxyoctane?
The IUPAC name of 4-ethyl-2-hydroperoxyoctane (CID 20769705) is 4-ethyl-2-hydroperoxyoctane.
What is the SMILES notation for 4-ethyl-2-hydroperoxyoctane?
The canonical SMILES for 4-ethyl-2-hydroperoxyoctane is CCCCC(CC)CC(C)OO.
What is the InChIKey of 4-ethyl-2-hydroperoxyoctane?
The InChIKey is CBKGBFLIOPVGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-6-7-10(5-2)8-9(3)12-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-2-hydroperoxyoctane?
4-ethyl-2-hydroperoxyoctane has a molecular weight of 174.28 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroperoxyoctane is sourced from PubChem (CID 20769705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).