11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane

C16H32O9 — CID 173006752

IUPAC11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
SMILESCC=COOOOOOOOOCCCCCCCCCCC(C)C
InChIInChI=1S/C16H32O9/c1-4-14-17-19-21-23-25-24-22-20-18-15-12-10-8-6-5-7-9-11-13-16(2)3/h4,14,16H,5-13,15H2,1-3H3
InChIKeyJTTBNLLGINFNNG-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.16
Rot. Bonds20

About 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane

11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane (PubChem CID 173006752) has the molecular formula C16H32O9 and a molecular weight of 368.42 g/mol. Its IUPAC name is 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane.

Molecular Properties

Compound Name11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
PubChem CID173006752
Molecular FormulaC16H32O9
Molecular Weight368.42 g/mol
Exact Mass368.20
IUPAC Name11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
SMILESCC=COOOOOOOOOCCCCCCCCCCC(C)C
InChIInChI=1S/C16H32O9/c1-4-14-17-19-21-23-25-24-22-20-18-15-12-10-8-6-5-7-9-11-13-16(2)3/h4,14,16H,5-13,15H2,1-3H3
InChIKeyJTTBNLLGINFNNG-UHFFFAOYSA-N
XLogP5.16
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.16
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

8-methyl-1-prop-1-enoxyperoxyperoxynonane
CID 173006774
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 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane?
The IUPAC name of 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane (CID 173006752) is 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane.
What is the SMILES notation for 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane?
The canonical SMILES for 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane is CC=COOOOOOOOOCCCCCCCCCCC(C)C.
What is the InChIKey of 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane?
The InChIKey is JTTBNLLGINFNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O9/c1-4-14-17-19-21-23-25-24-22-20-18-15-12-10-8-6-5-7-9-11-13-16(2)3/h4,14,16H,5-13,15H2,1-3H3.
What are the key properties of 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane?
11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane has a molecular weight of 368.42 g/mol, XLogP of 5.16, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane is sourced from PubChem (CID 173006752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).