dipotassium;octyl phosphate

C8H17K2O4P — CID 29394

IUPACdipotassium;octyl phosphate
SMILESCCCCCCCCOP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C8H19O4P.2K/c1-2-3-4-5-6-7-8-12-13(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2
InChIKeyLPZZAIMVFFLHQU-UHFFFAOYSA-L
MW286.39 g/mol
LogP-4.80
Rot. Bonds8

About dipotassium;octyl phosphate

dipotassium;octyl phosphate (PubChem CID 29394) has the molecular formula C8H17K2O4P and a molecular weight of 286.39 g/mol. Its IUPAC name is dipotassium;octyl phosphate.

Molecular Properties

Compound Namedipotassium;octyl phosphate
PubChem CID29394
Molecular FormulaC8H17K2O4P
Molecular Weight286.39 g/mol
Exact Mass286.01
IUPAC Namedipotassium;octyl phosphate
SMILESCCCCCCCCOP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C8H19O4P.2K/c1-2-3-4-5-6-7-8-12-13(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2
InChIKeyLPZZAIMVFFLHQU-UHFFFAOYSA-L
XLogP-4.80
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 5-4.80
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

dipotassium;tetradecyl phosphate
CID 11089999
dipotassium;octadecyl phosphate
CID 20511704
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
calcium dotriacontyl phosphate
CID 164901019
dilithium;tetradecyl phosphate
CID 139820221
calcium tetradecyl phosphate
CID 172742428
aluminum nonyl phosphate
CID 19089706
azanium tetradecyl phosphate
CID 19028533
bis(neodymium(3+));octyl phosphate
CID 141387677
calcium;sodium;pentadecyl phosphate
CID 172731404
dilithium;tridecyl phosphate
CID 159999815
calcium hexadecyl phosphate
CID 15662538

Frequently Asked Questions

What is the IUPAC name of dipotassium;octyl phosphate?
The IUPAC name of dipotassium;octyl phosphate (CID 29394) is dipotassium;octyl phosphate.
What is the SMILES notation for dipotassium;octyl phosphate?
The canonical SMILES for dipotassium;octyl phosphate is CCCCCCCCOP(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;octyl phosphate?
The InChIKey is LPZZAIMVFFLHQU-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H19O4P.2K/c1-2-3-4-5-6-7-8-12-13(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2.
What are the key properties of dipotassium;octyl phosphate?
dipotassium;octyl phosphate has a molecular weight of 286.39 g/mol, XLogP of -4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;octyl phosphate is sourced from PubChem (CID 29394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).