2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol

C12H30AlO9P3 — CID 141259737

IUPAC2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol
SMILESCCP(=O)(CCO)O[Al](OP(=O)(CC)CCO)OP(=O)(CC)CCO
InChIInChI=1S/3C4H11O3P.Al/c3*1-2-8(6,7)4-3-5;/h3*5H,2-4H2,1H3,(H,6,7);/q;;;+3/p-3
InChIKeyGGUJMDQTWVCENS-UHFFFAOYSA-K
MW438.27 g/mol
LogP1.89
Rot. Bonds15

About 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol

2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol (PubChem CID 141259737) has the molecular formula C12H30AlO9P3 and a molecular weight of 438.27 g/mol. Its IUPAC name is 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol.

Molecular Properties

Compound Name2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol
PubChem CID141259737
Molecular FormulaC12H30AlO9P3
Molecular Weight438.27 g/mol
Exact Mass438.09
IUPAC Name2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol
SMILESCCP(=O)(CCO)O[Al](OP(=O)(CC)CCO)OP(=O)(CC)CCO
InChIInChI=1S/3C4H11O3P.Al/c3*1-2-8(6,7)4-3-5;/h3*5H,2-4H2,1H3,(H,6,7);/q;;;+3/p-3
InChIKeyGGUJMDQTWVCENS-UHFFFAOYSA-K
XLogP1.89
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tris(diheptylphosphoryloxy)alumane
CID 170983698
[ethoxy(ethyl)phosphoryl]methanol
CID 129384384
1-[ethyl(trioxidanyl)phosphoryl]ethane
CID 89425498
2-diethylphosphoryloxypropan-1-ol
CID 137435698
2-[ethyl(propyl)phosphoryl]oxypropan-1-ol
CID 129142575
8-diethoxyphosphoryloctan-1-ol
CID 10515886
dipropylphosphorylmethanol
CID 18981637
butyl(2-hydroxyethyl)phosphinic acid
CID 87233440
[2-hydroxyethyl(octadecanoyloxy)phosphoryl] octadecanoate
CID 87607086
1,3-bis(diethylphosphoryloxy)propane
CID 23081880
diethylphosphoryl butanoate
CID 19107766
2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol
CID 172735074

Frequently Asked Questions

What is the IUPAC name of 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol?
The IUPAC name of 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol (CID 141259737) is 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol.
What is the SMILES notation for 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol?
The canonical SMILES for 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol is CCP(=O)(CCO)O[Al](OP(=O)(CC)CCO)OP(=O)(CC)CCO.
What is the InChIKey of 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol?
The InChIKey is GGUJMDQTWVCENS-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H11O3P.Al/c3*1-2-8(6,7)4-3-5;/h3*5H,2-4H2,1H3,(H,6,7);/q;;;+3/p-3.
What are the key properties of 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol?
2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol has a molecular weight of 438.27 g/mol, XLogP of 1.89, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[[ethyl(2-hydroxyethyl)phosphoryl]oxy]alumanyloxy-ethylphosphoryl]ethanol is sourced from PubChem (CID 141259737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).