dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane

C14H21O14P3Si — CID 175107742

IUPACdimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane
SMILESCOP(=O)(OC)OP(=O)(Oc1ccccc1)OP(=O)(O)O.O[Si](O)(O)Oc1ccccc1
InChIInChI=1S/C8H13O10P3.C6H8O4Si/c1-14-20(12,15-2)18-21(13,17-19(9,10)11)16-8-6-4-3-5-7-8;7-11(8,9)10-6-4-2-1-3-5-6/h3-7H,1-2H3,(H2,9,10,11);1-5,7-9H
InChIKeyAFEXOKCYDJZOAE-UHFFFAOYSA-N
MW534.32 g/mol
LogP2.18
Rot. Bonds10

About dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane

dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane (PubChem CID 175107742) has the molecular formula C14H21O14P3Si and a molecular weight of 534.32 g/mol. Its IUPAC name is dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane.

Molecular Properties

Compound Namedimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane
PubChem CID175107742
Molecular FormulaC14H21O14P3Si
Molecular Weight534.32 g/mol
Exact Mass533.99
IUPAC Namedimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane
SMILESCOP(=O)(OC)OP(=O)(Oc1ccccc1)OP(=O)(O)O.O[Si](O)(O)Oc1ccccc1
InChIInChI=1S/C8H13O10P3.C6H8O4Si/c1-14-20(12,15-2)18-21(13,17-19(9,10)11)16-8-6-4-3-5-7-8;7-11(8,9)10-6-4-2-1-3-5-6/h3-7H,1-2H3,(H2,9,10,11);1-5,7-9H
InChIKeyAFEXOKCYDJZOAE-UHFFFAOYSA-N
XLogP2.18
TPSA207.74 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.32
LogP ≤ 52.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
benzyl phenyl phosphono phosphate
CID 150753839
phenyl phosphono prop-2-enyl phosphate
CID 88721079
methane;phenyl phosphono hydrogen phosphate
CID 88820079
(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630
octadecyl phenyl phosphono phosphate
CID 174802974
CID 131875092
CID 131875092
ethenyl methyl phenyl phosphate
CID 11593721
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
methyl (3-methylphenyl) phenyl phosphate
CID 21410402

Frequently Asked Questions

What is the IUPAC name of dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane?
The IUPAC name of dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane (CID 175107742) is dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane.
What is the SMILES notation for dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane?
The canonical SMILES for dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane is COP(=O)(OC)OP(=O)(Oc1ccccc1)OP(=O)(O)O.O[Si](O)(O)Oc1ccccc1.
What is the InChIKey of dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane?
The InChIKey is AFEXOKCYDJZOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O10P3.C6H8O4Si/c1-14-20(12,15-2)18-21(13,17-19(9,10)11)16-8-6-4-3-5-7-8;7-11(8,9)10-6-4-2-1-3-5-6/h3-7H,1-2H3,(H2,9,10,11);1-5,7-9H.
What are the key properties of dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane?
dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane has a molecular weight of 534.32 g/mol, XLogP of 2.18, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl [phenoxy(phosphonooxy)phosphoryl] phosphate;trihydroxy(phenoxy)silane is sourced from PubChem (CID 175107742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).