dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate

C18H33O10P3 — CID 3058504

IUPACdipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate
SMILESCCCOP(=O)(OCCC)OP(=O)(OCCC)OP(=O)(OCCC)Oc1ccccc1
InChIInChI=1S/C18H33O10P3/c1-5-14-22-29(19,23-15-6-2)27-31(21,25-17-8-4)28-30(20,24-16-7-3)26-18-12-10-9-11-13-18/h9-13H,5-8,14-17H2,1-4H3
InChIKeyWVZITCXGFJEBEW-UHFFFAOYSA-N
MW502.37 g/mol
LogP7.13
Rot. Bonds18

About dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate

dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate (PubChem CID 3058504) has the molecular formula C18H33O10P3 and a molecular weight of 502.37 g/mol. Its IUPAC name is dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate.

Molecular Properties

Compound Namedipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate
PubChem CID3058504
Molecular FormulaC18H33O10P3
Molecular Weight502.37 g/mol
Exact Mass502.13
IUPAC Namedipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate
SMILESCCCOP(=O)(OCCC)OP(=O)(OCCC)OP(=O)(OCCC)Oc1ccccc1
InChIInChI=1S/C18H33O10P3/c1-5-14-22-29(19,23-15-6-2)27-31(21,25-17-8-4)28-30(20,24-16-7-3)26-18-12-10-9-11-13-18/h9-13H,5-8,14-17H2,1-4H3
InChIKeyWVZITCXGFJEBEW-UHFFFAOYSA-N
XLogP7.13
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.37
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
hexyl diphenyl phosphate
CID 13389453
heptyl pentyl phenyl phosphate
CID 21454681
octadecyl phenyl phosphono phosphate
CID 174802974
2-(dimethylamino)ethyl diphenyl phosphate
CID 169439172
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
methoxymethyl diphenyl phosphate
CID 18345572
[propoxy(prop-2-ynyl)phosphoryl]oxybenzene
CID 91062587
tris(4-phenoxyphenyl) phosphate
CID 70576220
2-methylpropane;triphenyl phosphate
CID 91193965
(4-methylphenyl) 2-nonoxyethyl phenyl phosphate
CID 69156969

Frequently Asked Questions

What is the IUPAC name of dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate?
The IUPAC name of dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate (CID 3058504) is dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate.
What is the SMILES notation for dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate?
The canonical SMILES for dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate is CCCOP(=O)(OCCC)OP(=O)(OCCC)OP(=O)(OCCC)Oc1ccccc1.
What is the InChIKey of dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate?
The InChIKey is WVZITCXGFJEBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O10P3/c1-5-14-22-29(19,23-15-6-2)27-31(21,25-17-8-4)28-30(20,24-16-7-3)26-18-12-10-9-11-13-18/h9-13H,5-8,14-17H2,1-4H3.
What are the key properties of dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate?
dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate has a molecular weight of 502.37 g/mol, XLogP of 7.13, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate is sourced from PubChem (CID 3058504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).