dipotassium;octadecyl phosphate

C18H37K2O4P — CID 20511704

IUPACdipotassium;octadecyl phosphate
SMILESCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C18H39O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h2-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2
InChIKeyBWIIMRFKCNBWEH-UHFFFAOYSA-L
MW426.66 g/mol
LogP-0.90
Rot. Bonds18

About dipotassium;octadecyl phosphate

dipotassium;octadecyl phosphate (PubChem CID 20511704) has the molecular formula C18H37K2O4P and a molecular weight of 426.66 g/mol. Its IUPAC name is dipotassium;octadecyl phosphate.

Molecular Properties

Compound Namedipotassium;octadecyl phosphate
PubChem CID20511704
Molecular FormulaC18H37K2O4P
Molecular Weight426.66 g/mol
Exact Mass426.17
IUPAC Namedipotassium;octadecyl phosphate
SMILESCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C18H39O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h2-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2
InChIKeyBWIIMRFKCNBWEH-UHFFFAOYSA-L
XLogP-0.90
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.66
LogP ≤ 5-0.90
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;octyl phosphate
CID 29394
dipotassium;tetradecyl phosphate
CID 11089999
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
calcium;sodium;pentadecyl phosphate
CID 172731404
dilithium;tridecyl phosphate
CID 159999815
bis(neodymium(3+));octyl phosphate
CID 141387677
calcium hexadecyl phosphate
CID 15662538

Frequently Asked Questions

What is the IUPAC name of dipotassium;octadecyl phosphate?
The IUPAC name of dipotassium;octadecyl phosphate (CID 20511704) is dipotassium;octadecyl phosphate.
What is the SMILES notation for dipotassium;octadecyl phosphate?
The canonical SMILES for dipotassium;octadecyl phosphate is CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;octadecyl phosphate?
The InChIKey is BWIIMRFKCNBWEH-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H39O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h2-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2.
What are the key properties of dipotassium;octadecyl phosphate?
dipotassium;octadecyl phosphate has a molecular weight of 426.66 g/mol, XLogP of -0.90, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;octadecyl phosphate is sourced from PubChem (CID 20511704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).