8-methyl-1-prop-1-enoxyperoxyperoxynonane

C13H26O5 — CID 173006774

IUPAC8-methyl-1-prop-1-enoxyperoxyperoxynonane
SMILESCC=COOOOOCCCCCCCC(C)C
InChIInChI=1S/C13H26O5/c1-4-11-14-16-18-17-15-12-9-7-5-6-8-10-13(2)3/h4,11,13H,5-10,12H2,1-3H3
InChIKeyCKILBUZYKNUBOT-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.26
Rot. Bonds13

About 8-methyl-1-prop-1-enoxyperoxyperoxynonane

8-methyl-1-prop-1-enoxyperoxyperoxynonane (PubChem CID 173006774) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-methyl-1-prop-1-enoxyperoxyperoxynonane.

Molecular Properties

Compound Name8-methyl-1-prop-1-enoxyperoxyperoxynonane
PubChem CID173006774
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name8-methyl-1-prop-1-enoxyperoxyperoxynonane
SMILESCC=COOOOOCCCCCCCC(C)C
InChIInChI=1S/C13H26O5/c1-4-11-14-16-18-17-15-12-9-7-5-6-8-10-13(2)3/h4,11,13H,5-10,12H2,1-3H3
InChIKeyCKILBUZYKNUBOT-UHFFFAOYSA-N
XLogP4.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze 8-methyl-1-prop-1-enoxyperoxyperoxynonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
CID 173006752
8-methyl-1-prop-1-enoxyperoxyperoxyperoxynonane;phosphoric acid
CID 173006796
1-ethenoxyperoxyperoxyperoxy-10-methylundecane
CID 87099678
1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane
CID 87099645
8-methyl-1-prop-1-enoxynonane
CID 152729157
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxyoctadecane
CID 173006830
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane
CID 173006854
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
2,22-dimethyltricosane
CID 58100191

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-prop-1-enoxyperoxyperoxynonane?
The IUPAC name of 8-methyl-1-prop-1-enoxyperoxyperoxynonane (CID 173006774) is 8-methyl-1-prop-1-enoxyperoxyperoxynonane.
What is the SMILES notation for 8-methyl-1-prop-1-enoxyperoxyperoxynonane?
The canonical SMILES for 8-methyl-1-prop-1-enoxyperoxyperoxynonane is CC=COOOOOCCCCCCCC(C)C.
What is the InChIKey of 8-methyl-1-prop-1-enoxyperoxyperoxynonane?
The InChIKey is CKILBUZYKNUBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-4-11-14-16-18-17-15-12-9-7-5-6-8-10-13(2)3/h4,11,13H,5-10,12H2,1-3H3.
What are the key properties of 8-methyl-1-prop-1-enoxyperoxyperoxynonane?
8-methyl-1-prop-1-enoxyperoxyperoxynonane has a molecular weight of 262.35 g/mol, XLogP of 4.26, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-prop-1-enoxyperoxyperoxynonane is sourced from PubChem (CID 173006774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).