1-ethenylperoxyoctane

C10H20O2 — CID 71433457

IUPAC1-ethenylperoxyoctane
SMILESC=COOCCCCCCCC
InChIInChI=1S/C10H20O2/c1-3-5-6-7-8-9-10-12-11-4-2/h4H,2-3,5-10H2,1H3
InChIKeyBVDDDJSZVHEROG-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.44
Rot. Bonds9

About 1-ethenylperoxyoctane

1-ethenylperoxyoctane (PubChem CID 71433457) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethenylperoxyoctane.

Molecular Properties

Compound Name1-ethenylperoxyoctane
PubChem CID71433457
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-ethenylperoxyoctane
SMILESC=COOCCCCCCCC
InChIInChI=1S/C10H20O2/c1-3-5-6-7-8-9-10-12-11-4-2/h4H,2-3,5-10H2,1H3
InChIKeyBVDDDJSZVHEROG-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-ethenylperoxyperoxyhexane
CID 18622337
1-ethenylperoxyperoxyperoxyoctadecane
CID 87099660
N,N-dimethylhydroxylamine;1-ethenoxyperoxydodecane
CID 172844761
1-octylperoxynonane
CID 151564626
1-ethenoxytriacontane
CID 14647805
1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
CID 151662960
1-pentylperoxypentane;sulfane
CID 174916685
1-butylperoxyperoxynonane
CID 90169675
1-methylperoxydocosane
CID 173387093
1-butoxyperoxynonane
CID 90110144
1-methylperoxydecane
CID 20726912

Frequently Asked Questions

What is the IUPAC name of 1-ethenylperoxyoctane?
The IUPAC name of 1-ethenylperoxyoctane (CID 71433457) is 1-ethenylperoxyoctane.
What is the SMILES notation for 1-ethenylperoxyoctane?
The canonical SMILES for 1-ethenylperoxyoctane is C=COOCCCCCCCC.
What is the InChIKey of 1-ethenylperoxyoctane?
The InChIKey is BVDDDJSZVHEROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10-12-11-4-2/h4H,2-3,5-10H2,1H3.
What are the key properties of 1-ethenylperoxyoctane?
1-ethenylperoxyoctane has a molecular weight of 172.27 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylperoxyoctane is sourced from PubChem (CID 71433457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).