aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)

C30H66AlO6P3 — CID 173155237

IUPACaluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)
SMILESCCCC(CC)(CC)P(=O)([O-])CC.CCCC(CC)(CC)P(=O)([O-])CC.CCCC(CC)(CC)P(=O)([O-])CC.[Al+3]
InChIInChI=1S/3C10H23O2P.Al/c3*1-5-9-10(6-2,7-3)13(11,12)8-4;/h3*5-9H2,1-4H3,(H,11,12);/q;;;+3/p-3
InChIKeyFGGRIOGYNMDZFN-UHFFFAOYSA-K
MW642.76 g/mol
LogP8.63
Rot. Bonds18

About aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)

aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate) (PubChem CID 173155237) has the molecular formula C30H66AlO6P3 and a molecular weight of 642.76 g/mol. Its IUPAC name is aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate).

Molecular Properties

Compound Namealuminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)
PubChem CID173155237
Molecular FormulaC30H66AlO6P3
Molecular Weight642.76 g/mol
Exact Mass642.39
IUPAC Namealuminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)
SMILESCCCC(CC)(CC)P(=O)([O-])CC.CCCC(CC)(CC)P(=O)([O-])CC.CCCC(CC)(CC)P(=O)([O-])CC.[Al+3]
InChIInChI=1S/3C10H23O2P.Al/c3*1-5-9-10(6-2,7-3)13(11,12)8-4;/h3*5-9H2,1-4H3,(H,11,12);/q;;;+3/p-3
InChIKeyFGGRIOGYNMDZFN-UHFFFAOYSA-K
XLogP8.63
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 58.63
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

3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane
CID 20522342
3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane
CID 91873465
3-ethyldecan-3-ylphosphonic acid
CID 20522343
3-ethylicosan-3-ylphosphonic acid
CID 146503819
3-ethyl-3-nitrosohexane
CID 18330731
5-propylnonan-5-ylphosphonic acid
CID 19438491
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
diethylphosphinate
CID 159335352
butane;lanthanum(3+);phosphate
CID 118953489
triazanium;propylazanium;diphosphate
CID 154732334
(1-ethoxy-4-ethyl-1-oxoheptan-4-yl)phosphonic acid
CID 87359133
2-ethyl-2-propylpentanamide
CID 10352144

Frequently Asked Questions

What is the IUPAC name of aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)?
The IUPAC name of aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate) (CID 173155237) is aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate).
What is the SMILES notation for aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)?
The canonical SMILES for aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate) is CCCC(CC)(CC)P(=O)([O-])CC.CCCC(CC)(CC)P(=O)([O-])CC.CCCC(CC)(CC)P(=O)([O-])CC.[Al+3].
What is the InChIKey of aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)?
The InChIKey is FGGRIOGYNMDZFN-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H23O2P.Al/c3*1-5-9-10(6-2,7-3)13(11,12)8-4;/h3*5-9H2,1-4H3,(H,11,12);/q;;;+3/p-3.
What are the key properties of aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)?
aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate) has a molecular weight of 642.76 g/mol, XLogP of 8.63, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate) is sourced from PubChem (CID 173155237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).