dipotassium;2-butyldecyl phosphate

C14H29K2O4P — CID 172796853

IUPACdipotassium;2-butyldecyl phosphate
SMILESCCCCCCCCC(CCCC)COP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C14H31O4P.2K/c1-3-5-7-8-9-10-12-14(11-6-4-2)13-18-19(15,16)17;;/h14H,3-13H2,1-2H3,(H2,15,16,17);;/q;2*+1/p-2
InChIKeyQHYPOQUTZRNTTL-UHFFFAOYSA-L
MW370.55 g/mol
LogP-2.60
Rot. Bonds13

About dipotassium;2-butyldecyl phosphate

dipotassium;2-butyldecyl phosphate (PubChem CID 172796853) has the molecular formula C14H29K2O4P and a molecular weight of 370.55 g/mol. Its IUPAC name is dipotassium;2-butyldecyl phosphate.

Molecular Properties

Compound Namedipotassium;2-butyldecyl phosphate
PubChem CID172796853
Molecular FormulaC14H29K2O4P
Molecular Weight370.55 g/mol
Exact Mass370.11
IUPAC Namedipotassium;2-butyldecyl phosphate
SMILESCCCCCCCCC(CCCC)COP(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C14H31O4P.2K/c1-3-5-7-8-9-10-12-14(11-6-4-2)13-18-19(15,16)17;;/h14H,3-13H2,1-2H3,(H2,15,16,17);;/q;2*+1/p-2
InChIKeyQHYPOQUTZRNTTL-UHFFFAOYSA-L
XLogP-2.60
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 5-2.60
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-hexyldecyl phosphate
CID 56842986
magnesium 2-decyltetradecyl phosphate
CID 172850772
disodium;2-propylhexyl phosphate
CID 153363799
trisodium;7-(2-hexyldecoxymethyl)pentadecane;phosphate
CID 172746408
2-ethylhexyl phosphate;bis(hexadecyl(trimethyl)azanium)
CID 19078835
8-[[chloro(2-heptylundecoxy)phosphoryl]oxymethyl]heptadecane
CID 11072206
bis(2-decylpentadecyl) hydrogen phosphate
CID 57320275
ethyl bis(2-heptylundecyl) phosphate
CID 10963237
sodium oxiran-2-ylmethyl 2-tetradecyloctadecyl phosphate
CID 23698434
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
2-ethylhexyl octan-2-yl phosphate
CID 18459399
tripotassium;2-hexyldecan-1-ol;phosphate
CID 175022453

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-butyldecyl phosphate?
The IUPAC name of dipotassium;2-butyldecyl phosphate (CID 172796853) is dipotassium;2-butyldecyl phosphate.
What is the SMILES notation for dipotassium;2-butyldecyl phosphate?
The canonical SMILES for dipotassium;2-butyldecyl phosphate is CCCCCCCCC(CCCC)COP(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-butyldecyl phosphate?
The InChIKey is QHYPOQUTZRNTTL-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H31O4P.2K/c1-3-5-7-8-9-10-12-14(11-6-4-2)13-18-19(15,16)17;;/h14H,3-13H2,1-2H3,(H2,15,16,17);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-butyldecyl phosphate?
dipotassium;2-butyldecyl phosphate has a molecular weight of 370.55 g/mol, XLogP of -2.60, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-butyldecyl phosphate is sourced from PubChem (CID 172796853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).