[diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate

C11H21O11PSi — CID 87829079

IUPAC[diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate
SMILESCCOC(OCC)(OP(O)O)[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H21O11PSi/c1-6-17-11(18-7-2,22-23(15)16)24(19-8(3)12,20-9(4)13)21-10(5)14/h15-16H,6-7H2,1-5H3
InChIKeyWWGBMVANTCVGMB-UHFFFAOYSA-N
MW388.34 g/mol
LogP0.11
Rot. Bonds10

About [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate

[diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate (PubChem CID 87829079) has the molecular formula C11H21O11PSi and a molecular weight of 388.34 g/mol. Its IUPAC name is [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate
PubChem CID87829079
Molecular FormulaC11H21O11PSi
Molecular Weight388.34 g/mol
Exact Mass388.06
IUPAC Name[diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate
SMILESCCOC(OCC)(OP(O)O)[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H21O11PSi/c1-6-17-11(18-7-2,22-23(15)16)24(19-8(3)12,20-9(4)13)21-10(5)14/h15-16H,6-7H2,1-5H3
InChIKeyWWGBMVANTCVGMB-UHFFFAOYSA-N
XLogP0.11
TPSA147.05 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate (CID 87829079) is [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate is CCOC(OCC)(OP(O)O)[Si](OC(C)=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate?
The InChIKey is WWGBMVANTCVGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O11PSi/c1-6-17-11(18-7-2,22-23(15)16)24(19-8(3)12,20-9(4)13)21-10(5)14/h15-16H,6-7H2,1-5H3.
What are the key properties of [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate?
[diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate has a molecular weight of 388.34 g/mol, XLogP of 0.11, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[dihydroxyphosphanyloxy(diethoxy)methyl]silyl] acetate is sourced from PubChem (CID 87829079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).