dihydroxyphosphanyl bis(8-methylnonoxy) phosphite

C20H44O7P2 — CID 141008258

IUPACdihydroxyphosphanyl bis(8-methylnonoxy) phosphite
SMILESCC(C)CCCCCCCOOP(OOCCCCCCCC(C)C)OP(O)O
InChIInChI=1S/C20H44O7P2/c1-19(2)15-11-7-5-9-13-17-23-25-29(27-28(21)22)26-24-18-14-10-6-8-12-16-20(3)4/h19-22H,5-18H2,1-4H3
InChIKeyFYCKTIFXRVEDRT-UHFFFAOYSA-N
MW458.51 g/mol
LogP7.33
Rot. Bonds22

About dihydroxyphosphanyl bis(8-methylnonoxy) phosphite

dihydroxyphosphanyl bis(8-methylnonoxy) phosphite (PubChem CID 141008258) has the molecular formula C20H44O7P2 and a molecular weight of 458.51 g/mol. Its IUPAC name is dihydroxyphosphanyl bis(8-methylnonoxy) phosphite.

Molecular Properties

Compound Namedihydroxyphosphanyl bis(8-methylnonoxy) phosphite
PubChem CID141008258
Molecular FormulaC20H44O7P2
Molecular Weight458.51 g/mol
Exact Mass458.26
IUPAC Namedihydroxyphosphanyl bis(8-methylnonoxy) phosphite
SMILESCC(C)CCCCCCCOOP(OOCCCCCCCC(C)C)OP(O)O
InChIInChI=1S/C20H44O7P2/c1-19(2)15-11-7-5-9-13-17-23-25-29(27-28(21)22)26-24-18-14-10-6-8-12-16-20(3)4/h19-22H,5-18H2,1-4H3
InChIKeyFYCKTIFXRVEDRT-UHFFFAOYSA-N
XLogP7.33
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

phosphorous acid;tris(6-methylheptyl) phosphite
CID 87841257
[2-(dihydroxyphosphanyloxymethyl)-2-(hydroxymethyl)-3-(8-methylnonylperoxy)propyl] dihydrogen phosphite
CID 90697743
[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite
CID 88626572
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
1-ethylperoxy-14-methylpentadecane
CID 175001574
1-hydroperoxy-6-methylheptane
CID 87470675
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
(2,6-ditert-butyl-4-methylphenyl) dihydroxyphosphanyl 11-methyldodecyl phosphite
CID 175414362
2,22-dimethyltricosane
CID 58100191

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl bis(8-methylnonoxy) phosphite?
The IUPAC name of dihydroxyphosphanyl bis(8-methylnonoxy) phosphite (CID 141008258) is dihydroxyphosphanyl bis(8-methylnonoxy) phosphite.
What is the SMILES notation for dihydroxyphosphanyl bis(8-methylnonoxy) phosphite?
The canonical SMILES for dihydroxyphosphanyl bis(8-methylnonoxy) phosphite is CC(C)CCCCCCCOOP(OOCCCCCCCC(C)C)OP(O)O.
What is the InChIKey of dihydroxyphosphanyl bis(8-methylnonoxy) phosphite?
The InChIKey is FYCKTIFXRVEDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O7P2/c1-19(2)15-11-7-5-9-13-17-23-25-29(27-28(21)22)26-24-18-14-10-6-8-12-16-20(3)4/h19-22H,5-18H2,1-4H3.
What are the key properties of dihydroxyphosphanyl bis(8-methylnonoxy) phosphite?
dihydroxyphosphanyl bis(8-methylnonoxy) phosphite has a molecular weight of 458.51 g/mol, XLogP of 7.33, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl bis(8-methylnonoxy) phosphite is sourced from PubChem (CID 141008258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).