[2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate

C20H28O6P2 — CID 174771557

IUPAC[2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate
SMILESCCCCC(CC)COP(O)OP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H28O6P2/c1-3-5-12-18(4-2)17-23-27(21)26-28(22,24-19-13-8-6-9-14-19)25-20-15-10-7-11-16-20/h6-11,13-16,18,21H,3-5,12,17H2,1-2H3
InChIKeyJPIAKYPONWTXEX-UHFFFAOYSA-N
MW426.39 g/mol
LogP6.72
Rot. Bonds13

About [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate

[2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate (PubChem CID 174771557) has the molecular formula C20H28O6P2 and a molecular weight of 426.39 g/mol. Its IUPAC name is [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate.

Molecular Properties

Compound Name[2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate
PubChem CID174771557
Molecular FormulaC20H28O6P2
Molecular Weight426.39 g/mol
Exact Mass426.14
IUPAC Name[2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate
SMILESCCCCC(CC)COP(O)OP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H28O6P2/c1-3-5-12-18(4-2)17-23-27(21)26-28(22,24-19-13-8-6-9-14-19)25-20-15-10-7-11-16-20/h6-11,13-16,18,21H,3-5,12,17H2,1-2H3
InChIKeyJPIAKYPONWTXEX-UHFFFAOYSA-N
XLogP6.72
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.39
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-ethylhexyl diphenyl phosphate;phosphoric acid
CID 172820434
diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite
CID 161432608
2-ethylhexyl diphenyl phosphate;2-methylprop-2-enoic acid
CID 67913752
dihexan-2-yl phenyl phosphate
CID 68798686
2-ethylhexoxy(phenyl)phosphinic acid
CID 14299722
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite
CID 54359277
2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid
CID 137423428
2-ethylhexoxy(phenoxy)phosphane
CID 23385803
lithium;bis(2-ethyloctyl) hydrogen phosphite;hydride
CID 173436132
bis(2-ethylhexyl) hydrogen phosphate;[2-ethylhexyl(phenoxy)phosphoryl]oxybenzene;[octyl(phenoxy)phosphoryl]oxybenzene;tributyl phosphate
CID 159422230
sodium;hydride;phenyl 2-ethylhexane-1-sulfonate
CID 174718751

Frequently Asked Questions

What is the IUPAC name of [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate?
The IUPAC name of [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate (CID 174771557) is [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate.
What is the SMILES notation for [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate?
The canonical SMILES for [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate is CCCCC(CC)COP(O)OP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate?
The InChIKey is JPIAKYPONWTXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6P2/c1-3-5-12-18(4-2)17-23-27(21)26-28(22,24-19-13-8-6-9-14-19)25-20-15-10-7-11-16-20/h6-11,13-16,18,21H,3-5,12,17H2,1-2H3.
What are the key properties of [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate?
[2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate has a molecular weight of 426.39 g/mol, XLogP of 6.72, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate is sourced from PubChem (CID 174771557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).