2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide

C18H37O9P — CID 151220292

IUPAC2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC(C)CCCCCCCCCCCCCOOOOOOP1(=O)OCCO1
InChIInChI=1S/C18H37O9P/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-23-24-25-26-27-28(19)21-16-17-22-28/h18H,3-17H2,1-2H3
InChIKeyNMDINBLYIJARDJ-UHFFFAOYSA-N
MW428.46 g/mol
LogP6.15
Rot. Bonds20

About 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide

2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 151220292) has the molecular formula C18H37O9P and a molecular weight of 428.46 g/mol. Its IUPAC name is 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID151220292
Molecular FormulaC18H37O9P
Molecular Weight428.46 g/mol
Exact Mass428.22
IUPAC Name2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC(C)CCCCCCCCCCCCCOOOOOOP1(=O)OCCO1
InChIInChI=1S/C18H37O9P/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-23-24-25-26-27-28(19)21-16-17-22-28/h18H,3-17H2,1-2H3
InChIKeyNMDINBLYIJARDJ-UHFFFAOYSA-N
XLogP6.15
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 123874175
1-ethenoxyperoxyperoxyperoxy-10-methylundecane
CID 87099678
11-methyl-1-prop-1-enoxyperoxyperoxyperoxyperoxydodecane
CID 173006752
8-methyl-1-prop-1-enoxyperoxyperoxynonane
CID 173006774
1-ethenoxyperoxyperoxyperoxyperoxy-10-methylundecane
CID 87099645
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
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841

Frequently Asked Questions

What is the IUPAC name of 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide (CID 151220292) is 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide is CC(C)CCCCCCCCCCCCCOOOOOOP1(=O)OCCO1.
What is the InChIKey of 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is NMDINBLYIJARDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O9P/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20-23-24-25-26-27-28(19)21-16-17-22-28/h18H,3-17H2,1-2H3.
What are the key properties of 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 428.46 g/mol, XLogP of 6.15, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 151220292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).