potassium dodecyl octyl phosphate

C20H42KO4P — CID 175269895

IUPACpotassium dodecyl octyl phosphate
SMILESCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCC.[K+]
InChIInChI=1S/C20H43O4P.K/c1-3-5-7-9-11-12-13-14-16-18-20-24-25(21,22)23-19-17-15-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyAZONCKILQRUHAT-UHFFFAOYSA-M
MW416.62 g/mol
LogP3.77
Rot. Bonds20

About potassium dodecyl octyl phosphate

potassium dodecyl octyl phosphate (PubChem CID 175269895) has the molecular formula C20H42KO4P and a molecular weight of 416.62 g/mol. Its IUPAC name is potassium dodecyl octyl phosphate.

Molecular Properties

Compound Namepotassium dodecyl octyl phosphate
PubChem CID175269895
Molecular FormulaC20H42KO4P
Molecular Weight416.62 g/mol
Exact Mass416.25
IUPAC Namepotassium dodecyl octyl phosphate
SMILESCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCC.[K+]
InChIInChI=1S/C20H43O4P.K/c1-3-5-7-9-11-12-13-14-16-18-20-24-25(21,22)23-19-17-15-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyAZONCKILQRUHAT-UHFFFAOYSA-M
XLogP3.77
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.62
LogP ≤ 53.77
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

diicosyl phosphate
CID 21219883
zinc bis(dinonyl phosphate)
CID 87237924
disodium bis(dioctadecyl phosphate)
CID 172826116
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
ethyl hexyl phosphate
CID 22057005

Frequently Asked Questions

What is the IUPAC name of potassium dodecyl octyl phosphate?
The IUPAC name of potassium dodecyl octyl phosphate (CID 175269895) is potassium dodecyl octyl phosphate.
What is the SMILES notation for potassium dodecyl octyl phosphate?
The canonical SMILES for potassium dodecyl octyl phosphate is CCCCCCCCCCCCOP(=O)([O-])OCCCCCCCC.[K+].
What is the InChIKey of potassium dodecyl octyl phosphate?
The InChIKey is AZONCKILQRUHAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H43O4P.K/c1-3-5-7-9-11-12-13-14-16-18-20-24-25(21,22)23-19-17-15-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);/q;+1/p-1.
What are the key properties of potassium dodecyl octyl phosphate?
potassium dodecyl octyl phosphate has a molecular weight of 416.62 g/mol, XLogP of 3.77, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium dodecyl octyl phosphate is sourced from PubChem (CID 175269895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).