aluminum tris(dipentylphosphinate)

C30H66AlO6P3 — CID 175031786

IUPACaluminum tris(dipentylphosphinate)
SMILESCCCCCP(=O)([O-])CCCCC.CCCCCP(=O)([O-])CCCCC.CCCCCP(=O)([O-])CCCCC.[Al+3]
InChIInChI=1S/3C10H23O2P.Al/c3*1-3-5-7-9-13(11,12)10-8-6-4-2;/h3*3-10H2,1-2H3,(H,11,12);/q;;;+3/p-3
InChIKeyOTOSBXURLCNNDV-UHFFFAOYSA-K
MW642.76 g/mol
LogP8.63
Rot. Bonds24

About aluminum tris(dipentylphosphinate)

aluminum tris(dipentylphosphinate) (PubChem CID 175031786) has the molecular formula C30H66AlO6P3 and a molecular weight of 642.76 g/mol. Its IUPAC name is aluminum tris(dipentylphosphinate).

Molecular Properties

Compound Namealuminum tris(dipentylphosphinate)
PubChem CID175031786
Molecular FormulaC30H66AlO6P3
Molecular Weight642.76 g/mol
Exact Mass642.39
IUPAC Namealuminum tris(dipentylphosphinate)
SMILESCCCCCP(=O)([O-])CCCCC.CCCCCP(=O)([O-])CCCCC.CCCCCP(=O)([O-])CCCCC.[Al+3]
InChIInChI=1S/3C10H23O2P.Al/c3*1-3-5-7-9-13(11,12)10-8-6-4-2;/h3*3-10H2,1-2H3,(H,11,12);/q;;;+3/p-3
InChIKeyOTOSBXURLCNNDV-UHFFFAOYSA-K
XLogP8.63
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

aluminum tris(didecylphosphinate)
CID 175205611
bis(dipentylphosphinate);nickel(2+)
CID 22743871
sodium dioctylphosphinate
CID 23691904
bis(dioctylphosphinate);nickel(2+)
CID 22743879
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
bis(diheptylphosphinate);nickel(2+)
CID 22743867
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)
CID 140747194
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108

Frequently Asked Questions

What is the IUPAC name of aluminum tris(dipentylphosphinate)?
The IUPAC name of aluminum tris(dipentylphosphinate) (CID 175031786) is aluminum tris(dipentylphosphinate).
What is the SMILES notation for aluminum tris(dipentylphosphinate)?
The canonical SMILES for aluminum tris(dipentylphosphinate) is CCCCCP(=O)([O-])CCCCC.CCCCCP(=O)([O-])CCCCC.CCCCCP(=O)([O-])CCCCC.[Al+3].
What is the InChIKey of aluminum tris(dipentylphosphinate)?
The InChIKey is OTOSBXURLCNNDV-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H23O2P.Al/c3*1-3-5-7-9-13(11,12)10-8-6-4-2;/h3*3-10H2,1-2H3,(H,11,12);/q;;;+3/p-3.
What are the key properties of aluminum tris(dipentylphosphinate)?
aluminum tris(dipentylphosphinate) has a molecular weight of 642.76 g/mol, XLogP of 8.63, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(dipentylphosphinate) is sourced from PubChem (CID 175031786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).