bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane

C18H42AlO6P3 — CID 156788715

IUPACbis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane
SMILESCCCCP(OCC)O[Al](OP(CCCC)OCC)OP(CCCC)OCC
InChIInChI=1S/3C6H14O2P.Al/c3*1-3-5-6-9(7)8-4-2;/h3*3-6H2,1-2H3;/q3*-1;+3
InChIKeyOFZDGOVRIBUSJB-UHFFFAOYSA-N
MW474.43 g/mol
LogP7.47
Rot. Bonds21

About bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane

bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane (PubChem CID 156788715) has the molecular formula C18H42AlO6P3 and a molecular weight of 474.43 g/mol. Its IUPAC name is bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane.

Molecular Properties

Compound Namebis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane
PubChem CID156788715
Molecular FormulaC18H42AlO6P3
Molecular Weight474.43 g/mol
Exact Mass474.20
IUPAC Namebis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane
SMILESCCCCP(OCC)O[Al](OP(CCCC)OCC)OP(CCCC)OCC
InChIInChI=1S/3C6H14O2P.Al/c3*1-3-5-6-9(7)8-4-2;/h3*3-6H2,1-2H3;/q3*-1;+3
InChIKeyOFZDGOVRIBUSJB-UHFFFAOYSA-N
XLogP7.47
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethoxy(pentyl)phosphane
CID 21107293
butyl-ethoxy-ethylphosphane
CID 20529879
butyl(dipropoxy)phosphane
CID 87672656
butyl(dimethoxy)phosphane
CID 14855639
4-diethoxyphosphanylbutan-1-amine
CID 143917073
butyl(dioctoxy)phosphane
CID 139899840
benzene;butyl(dipropoxy)phosphane
CID 158448165
ruthenium;tetrakis(tributylphosphane)
CID 137286049
dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
CID 18386849
butoxy-butyl-ditert-butylphosphanyloxyphosphane
CID 13184503
diethoxy(2-trimethoxysilylethyl)phosphane
CID 141482363
2-diethoxyphosphanyl-N-methylethanamine
CID 142963573

Frequently Asked Questions

What is the IUPAC name of bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane?
The IUPAC name of bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane (CID 156788715) is bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane.
What is the SMILES notation for bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane?
The canonical SMILES for bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane is CCCCP(OCC)O[Al](OP(CCCC)OCC)OP(CCCC)OCC.
What is the InChIKey of bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane?
The InChIKey is OFZDGOVRIBUSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H14O2P.Al/c3*1-3-5-6-9(7)8-4-2;/h3*3-6H2,1-2H3;/q3*-1;+3.
What are the key properties of bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane?
bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane has a molecular weight of 474.43 g/mol, XLogP of 7.47, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane is sourced from PubChem (CID 156788715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).