1-ethenylperoxyperoxyhexane

C8H16O4 — CID 18622337

IUPAC1-ethenylperoxyperoxyhexane
SMILESC=COOOOCCCCCC
InChIInChI=1S/C8H16O4/c1-3-5-6-7-8-10-12-11-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyJUOUIVPIUNQCNN-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.52
Rot. Bonds9

About 1-ethenylperoxyperoxyhexane

1-ethenylperoxyperoxyhexane (PubChem CID 18622337) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-ethenylperoxyperoxyhexane.

Molecular Properties

Compound Name1-ethenylperoxyperoxyhexane
PubChem CID18622337
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-ethenylperoxyperoxyhexane
SMILESC=COOOOCCCCCC
InChIInChI=1S/C8H16O4/c1-3-5-6-7-8-10-12-11-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyJUOUIVPIUNQCNN-UHFFFAOYSA-N
XLogP2.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethenylperoxyperoxyperoxyoctadecane
CID 87099660
N,N-dimethylhydroxylamine;1-ethenoxyperoxydodecane
CID 172844761
1-ethenylperoxyoctane
CID 71433457
1-butylperoxyperoxynonane
CID 90169675
1-ethenoxyperoxyperoxyperoxy-10-methylundecane
CID 87099678
1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane
CID 87099645
1-propylperoxyperoxydodecane
CID 90108856
1-butoxyperoxynonane
CID 90110144
2-dodecylperoxyperoxyethenyl 2-methylprop-2-enoate
CID 156777293
1-propoxyperoxyundecane
CID 90109462
1-octylperoxynonane
CID 151564626
1-ethenoxytriacontane
CID 14647805

Frequently Asked Questions

What is the IUPAC name of 1-ethenylperoxyperoxyhexane?
The IUPAC name of 1-ethenylperoxyperoxyhexane (CID 18622337) is 1-ethenylperoxyperoxyhexane.
What is the SMILES notation for 1-ethenylperoxyperoxyhexane?
The canonical SMILES for 1-ethenylperoxyperoxyhexane is C=COOOOCCCCCC.
What is the InChIKey of 1-ethenylperoxyperoxyhexane?
The InChIKey is JUOUIVPIUNQCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-5-6-7-8-10-12-11-9-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 1-ethenylperoxyperoxyhexane?
1-ethenylperoxyperoxyhexane has a molecular weight of 176.21 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylperoxyperoxyhexane is sourced from PubChem (CID 18622337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).