1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane

C14H28O9 — CID 87099645

IUPAC1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane
SMILESC=COOOOOOOOOCCCCCCCCCC(C)C
InChIInChI=1S/C14H28O9/c1-4-15-17-19-21-23-22-20-18-16-13-11-9-7-5-6-8-10-12-14(2)3/h4,14H,1,5-13H2,2-3H3
InChIKeyJSOKAQWFPBRXSF-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.38
Rot. Bonds19

About 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane

1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane (PubChem CID 87099645) has the molecular formula C14H28O9 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane.

Molecular Properties

Compound Name1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane
PubChem CID87099645
Molecular FormulaC14H28O9
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane
SMILESC=COOOOOOOOOCCCCCCCCCC(C)C
InChIInChI=1S/C14H28O9/c1-4-15-17-19-21-23-22-20-18-16-13-11-9-7-5-6-8-10-12-14(2)3/h4,14H,1,5-13H2,2-3H3
InChIKeyJSOKAQWFPBRXSF-UHFFFAOYSA-N
XLogP4.38
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-ethenoxyperoxyperoxyperoxy-10-methylundecane
CID 87099678
11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
CID 173006752
8-methyl-1-prop-1-enoxyperoxyperoxynonane
CID 173006774
1-ethenylperoxyperoxyperoxyoctadecane
CID 87099660
8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid
CID 173006796
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
1-ethylperoxy-14-methylpentadecane
CID 175001574
2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 151220292
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
1-ethenoxy-4-methylpentane
CID 22665202
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane?
The IUPAC name of 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane (CID 87099645) is 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane.
What is the SMILES notation for 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane?
The canonical SMILES for 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane is C=COOOOOOOOOCCCCCCCCCC(C)C.
What is the InChIKey of 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane?
The InChIKey is JSOKAQWFPBRXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O9/c1-4-15-17-19-21-23-22-20-18-16-13-11-9-7-5-6-8-10-12-14(2)3/h4,14H,1,5-13H2,2-3H3.
What are the key properties of 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane?
1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane has a molecular weight of 340.37 g/mol, XLogP of 4.38, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane is sourced from PubChem (CID 87099645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).