aluminum nonyl phosphate

C9H19AlO4P+ — CID 19089706

IUPACaluminum nonyl phosphate
SMILESCCCCCCCCCOP(=O)([O-])[O-].[Al+3]
InChIInChI=1S/C9H21O4P.Al/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H2,10,11,12);/q;+3/p-2
InChIKeyQHVZCCMPJRKLLH-UHFFFAOYSA-L
MW249.20 g/mol
LogP1.20
Rot. Bonds9

About aluminum nonyl phosphate

aluminum nonyl phosphate (PubChem CID 19089706) has the molecular formula C9H19AlO4P+ and a molecular weight of 249.20 g/mol. Its IUPAC name is aluminum nonyl phosphate.

Molecular Properties

Compound Namealuminum nonyl phosphate
PubChem CID19089706
Molecular FormulaC9H19AlO4P+
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Namealuminum nonyl phosphate
SMILESCCCCCCCCCOP(=O)([O-])[O-].[Al+3]
InChIInChI=1S/C9H21O4P.Al/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H2,10,11,12);/q;+3/p-2
InChIKeyQHVZCCMPJRKLLH-UHFFFAOYSA-L
XLogP1.20
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dilithium;tridecyl phosphate
CID 159999815
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
calcium dotriacontyl phosphate
CID 164901019
dilithium;tetradecyl phosphate
CID 139820221
calcium tetradecyl phosphate
CID 172742428
azanium tetradecyl phosphate
CID 19028533
bis(neodymium(3+));octyl phosphate
CID 141387677
dipotassium;octyl phosphate
CID 29394
calcium;sodium;pentadecyl phosphate
CID 172731404
dipotassium;tetradecyl phosphate
CID 11089999
dipotassium;octadecyl phosphate
CID 20511704
calcium hexadecyl phosphate
CID 15662538

Frequently Asked Questions

What is the IUPAC name of aluminum nonyl phosphate?
The IUPAC name of aluminum nonyl phosphate (CID 19089706) is aluminum nonyl phosphate.
What is the SMILES notation for aluminum nonyl phosphate?
The canonical SMILES for aluminum nonyl phosphate is CCCCCCCCCOP(=O)([O-])[O-].[Al+3].
What is the InChIKey of aluminum nonyl phosphate?
The InChIKey is QHVZCCMPJRKLLH-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H21O4P.Al/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H2,10,11,12);/q;+3/p-2.
What are the key properties of aluminum nonyl phosphate?
aluminum nonyl phosphate has a molecular weight of 249.20 g/mol, XLogP of 1.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum nonyl phosphate is sourced from PubChem (CID 19089706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).