1-ethenylperoxyperoxyperoxyoctadecane

C20H40O6 — CID 87099660

IUPAC1-ethenylperoxyperoxyperoxyoctadecane
SMILESC=COOOOOOCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-25-23-21-4-2/h4H,2-3,5-20H2,1H3
InChIKeyMXFBICMDIQLSAT-UHFFFAOYSA-N
MW376.53 g/mol
LogP7.07
Rot. Bonds23

About 1-ethenylperoxyperoxyperoxyoctadecane

1-ethenylperoxyperoxyperoxyoctadecane (PubChem CID 87099660) has the molecular formula C20H40O6 and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-ethenylperoxyperoxyperoxyoctadecane.

Molecular Properties

Compound Name1-ethenylperoxyperoxyperoxyoctadecane
PubChem CID87099660
Molecular FormulaC20H40O6
Molecular Weight376.53 g/mol
Exact Mass376.28
IUPAC Name1-ethenylperoxyperoxyperoxyoctadecane
SMILESC=COOOOOOCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-25-23-21-4-2/h4H,2-3,5-20H2,1H3
InChIKeyMXFBICMDIQLSAT-UHFFFAOYSA-N
XLogP7.07
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
N,N-dimethylhydroxylamine;1-ethenoxyperoxydodecane
CID 172844761
1-ethenylperoxyoctane
CID 71433457
1-ethenoxyperoxyperoxyperoxy-10-methylundecane
CID 87099678
1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane
CID 87099645
1-butylperoxyperoxynonane
CID 90169675
1-propylperoxyperoxydodecane
CID 90108856
1-butoxyperoxynonane
CID 90110144
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxyoctadecane
CID 173006830
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane
CID 173006854
2-dodecylperoxyperoxyethenyl 2-methylprop-2-enoate
CID 156777293

Frequently Asked Questions

What is the IUPAC name of 1-ethenylperoxyperoxyperoxyoctadecane?
The IUPAC name of 1-ethenylperoxyperoxyperoxyoctadecane (CID 87099660) is 1-ethenylperoxyperoxyperoxyoctadecane.
What is the SMILES notation for 1-ethenylperoxyperoxyperoxyoctadecane?
The canonical SMILES for 1-ethenylperoxyperoxyperoxyoctadecane is C=COOOOOOCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-ethenylperoxyperoxyperoxyoctadecane?
The InChIKey is MXFBICMDIQLSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26-25-23-21-4-2/h4H,2-3,5-20H2,1H3.
What are the key properties of 1-ethenylperoxyperoxyperoxyoctadecane?
1-ethenylperoxyperoxyperoxyoctadecane has a molecular weight of 376.53 g/mol, XLogP of 7.07, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylperoxyperoxyperoxyoctadecane is sourced from PubChem (CID 87099660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).