dipotassium;2-hexyldecyl phosphate

C16H33K2O4P — CID 56842986

IUPACdipotassium;2-hexyldecyl phosphate
SMILESCCCCCCCCC(CCCCCC)COP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C16H35O4P.2K/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-20-21(17,18)19;;/h16H,3-15H2,1-2H3,(H2,17,18,19);;/q;2*+1/p-2
InChIKeySQPKAMSHYOALMB-UHFFFAOYSA-L
MW398.61 g/mol
LogP-1.82
Rot. Bonds15

About dipotassium;2-hexyldecyl phosphate

dipotassium;2-hexyldecyl phosphate (PubChem CID 56842986) has the molecular formula C16H33K2O4P and a molecular weight of 398.61 g/mol. Its IUPAC name is dipotassium;2-hexyldecyl phosphate.

Molecular Properties

Compound Namedipotassium;2-hexyldecyl phosphate
PubChem CID56842986
Molecular FormulaC16H33K2O4P
Molecular Weight398.61 g/mol
Exact Mass398.14
IUPAC Namedipotassium;2-hexyldecyl phosphate
SMILESCCCCCCCCC(CCCCCC)COP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C16H35O4P.2K/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-20-21(17,18)19;;/h16H,3-15H2,1-2H3,(H2,17,18,19);;/q;2*+1/p-2
InChIKeySQPKAMSHYOALMB-UHFFFAOYSA-L
XLogP-1.82
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.61
LogP ≤ 5-1.82
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;2-butyldecyl phosphate
CID 172796853
magnesium 2-decyltetradecyl phosphate
CID 172850772
disodium;2-propylhexyl phosphate
CID 153363799
trisodium;7-(2-hexyldecoxymethyl)pentadecane;phosphate
CID 172746408
8-[[chloro(2-heptylundecoxy)phosphoryl]oxymethyl]heptadecane
CID 11072206
bis(2-decylpentadecyl) hydrogen phosphate
CID 57320275
2-ethylhexyl phosphate;bis(hexadecyl(trimethyl)azanium)
CID 19078835
ethyl bis(2-heptylundecyl) phosphate
CID 10963237
sodium oxiran-2-ylmethyl 2-tetradecyloctadecyl phosphate
CID 23698434
tripotassium;2-hexyldecan-1-ol;phosphate
CID 175022453
dipotassium;tetradecyl phosphate
CID 11089999
dipotassium;octyl phosphate
CID 29394

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-hexyldecyl phosphate?
The IUPAC name of dipotassium;2-hexyldecyl phosphate (CID 56842986) is dipotassium;2-hexyldecyl phosphate.
What is the SMILES notation for dipotassium;2-hexyldecyl phosphate?
The canonical SMILES for dipotassium;2-hexyldecyl phosphate is CCCCCCCCC(CCCCCC)COP(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-hexyldecyl phosphate?
The InChIKey is SQPKAMSHYOALMB-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H35O4P.2K/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-20-21(17,18)19;;/h16H,3-15H2,1-2H3,(H2,17,18,19);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-hexyldecyl phosphate?
dipotassium;2-hexyldecyl phosphate has a molecular weight of 398.61 g/mol, XLogP of -1.82, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-hexyldecyl phosphate is sourced from PubChem (CID 56842986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).