aluminum tris(pentoxy(propan-2-yl)phosphinate)

C24H54AlO9P3 — CID 160665001

IUPACaluminum tris(pentoxy(propan-2-yl)phosphinate)
SMILESCCCCCOP(=O)([O-])C(C)C.CCCCCOP(=O)([O-])C(C)C.CCCCCOP(=O)([O-])C(C)C.[Al+3]
InChIInChI=1S/3C8H19O3P.Al/c3*1-4-5-6-7-11-12(9,10)8(2)3;/h3*8H,4-7H2,1-3H3,(H,9,10);/q;;;+3/p-3
InChIKeyRMEDOSHQUUCQFO-UHFFFAOYSA-K
MW606.59 g/mol
LogP6.08
Rot. Bonds18

About aluminum tris(pentoxy(propan-2-yl)phosphinate)

aluminum tris(pentoxy(propan-2-yl)phosphinate) (PubChem CID 160665001) has the molecular formula C24H54AlO9P3 and a molecular weight of 606.59 g/mol. Its IUPAC name is aluminum tris(pentoxy(propan-2-yl)phosphinate).

Molecular Properties

Compound Namealuminum tris(pentoxy(propan-2-yl)phosphinate)
PubChem CID160665001
Molecular FormulaC24H54AlO9P3
Molecular Weight606.59 g/mol
Exact Mass606.28
IUPAC Namealuminum tris(pentoxy(propan-2-yl)phosphinate)
SMILESCCCCCOP(=O)([O-])C(C)C.CCCCCOP(=O)([O-])C(C)C.CCCCCOP(=O)([O-])C(C)C.[Al+3]
InChIInChI=1S/3C8H19O3P.Al/c3*1-4-5-6-7-11-12(9,10)8(2)3;/h3*8H,4-7H2,1-3H3,(H,9,10);/q;;;+3/p-3
InChIKeyRMEDOSHQUUCQFO-UHFFFAOYSA-K
XLogP6.08
TPSA148.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.59
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

aluminum nonyl phosphate
CID 19089706
(2-hydroxy-3-octadecoxypropoxy)-propan-2-ylphosphinate
CID 177097808
dipentyl phosphate;nickel(2+)
CID 22743882
diicosyl phosphate
CID 21219883
tetrasodium;tetrakis(hexadecoxy-[hydroxy(phosphono)methyl]phosphinate)
CID 173412799
sodium [hydroxy(phosphono)methyl]-pentadecoxyphosphinate
CID 23663925
calcium tetradecyl phosphate
CID 172742428
dipotassium;tetradecyl phosphate
CID 11089999
dilithium;tridecyl phosphate
CID 159999815
zinc bis(dinonyl phosphate)
CID 87237924
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
disodium bis(dioctadecyl phosphate)
CID 172826116

Frequently Asked Questions

What is the IUPAC name of aluminum tris(pentoxy(propan-2-yl)phosphinate)?
The IUPAC name of aluminum tris(pentoxy(propan-2-yl)phosphinate) (CID 160665001) is aluminum tris(pentoxy(propan-2-yl)phosphinate).
What is the SMILES notation for aluminum tris(pentoxy(propan-2-yl)phosphinate)?
The canonical SMILES for aluminum tris(pentoxy(propan-2-yl)phosphinate) is CCCCCOP(=O)([O-])C(C)C.CCCCCOP(=O)([O-])C(C)C.CCCCCOP(=O)([O-])C(C)C.[Al+3].
What is the InChIKey of aluminum tris(pentoxy(propan-2-yl)phosphinate)?
The InChIKey is RMEDOSHQUUCQFO-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H19O3P.Al/c3*1-4-5-6-7-11-12(9,10)8(2)3;/h3*8H,4-7H2,1-3H3,(H,9,10);/q;;;+3/p-3.
What are the key properties of aluminum tris(pentoxy(propan-2-yl)phosphinate)?
aluminum tris(pentoxy(propan-2-yl)phosphinate) has a molecular weight of 606.59 g/mol, XLogP of 6.08, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(pentoxy(propan-2-yl)phosphinate) is sourced from PubChem (CID 160665001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).