2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane

C15H35O9PSi — CID 18688092

IUPAC2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane
SMILESCCOP(=O)(CC[Si](OC(C)OC)(OC(C)OC)OC(C)OC)OCC
InChIInChI=1S/C15H35O9PSi/c1-9-20-25(16,21-10-2)11-12-26(22-13(3)17-6,23-14(4)18-7)24-15(5)19-8/h13-15H,9-12H2,1-8H3
InChIKeyOZINGCWHUGZGDQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.22
Rot. Bonds16

About 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane

2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane (PubChem CID 18688092) has the molecular formula C15H35O9PSi and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane.

Molecular Properties

Compound Name2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane
PubChem CID18688092
Molecular FormulaC15H35O9PSi
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane
SMILESCCOP(=O)(CC[Si](OC(C)OC)(OC(C)OC)OC(C)OC)OCC
InChIInChI=1S/C15H35O9PSi/c1-9-20-25(16,21-10-2)11-12-26(22-13(3)17-6,23-14(4)18-7)24-15(5)19-8/h13-15H,9-12H2,1-8H3
InChIKeyOZINGCWHUGZGDQ-UHFFFAOYSA-N
XLogP3.22
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Related Compounds

3-diethoxyphosphoryl-1,1-dimethoxypropane;hydrate
CID 18686709
3-[tris(1-methoxyethoxy)silyl]propan-1-amine
CID 18398211
2-diethylphosphorylethyl-tri(propan-2-yloxy)silane
CID 141433181
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
2-diethoxyphosphorylethanesulfonic acid
CID 14904485
N,N-bis(2-diethoxyphosphorylethyl)-1-ethoxyethanamine
CID 87357769
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
1-diethoxyphosphoryldecane
CID 2773697
2-deuterio-1-diethoxyphosphorylbutane
CID 102385353
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
1-diethoxyphosphorylundecane
CID 57360026

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane?
The IUPAC name of 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane (CID 18688092) is 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane.
What is the SMILES notation for 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane?
The canonical SMILES for 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane is CCOP(=O)(CC[Si](OC(C)OC)(OC(C)OC)OC(C)OC)OCC.
What is the InChIKey of 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane?
The InChIKey is OZINGCWHUGZGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35O9PSi/c1-9-20-25(16,21-10-2)11-12-26(22-13(3)17-6,23-14(4)18-7)24-15(5)19-8/h13-15H,9-12H2,1-8H3.
What are the key properties of 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane?
2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane has a molecular weight of 418.50 g/mol, XLogP of 3.22, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylethyl-tris(1-methoxyethoxy)silane is sourced from PubChem (CID 18688092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).