dipotassium;1-dodecoxydodecane;hydrogen phosphate

C24H51K2O5P — CID 173239706

IUPACdipotassium;1-dodecoxydodecane;hydrogen phosphate
SMILESCCCCCCCCCCCCOCCCCCCCCCCCC.O=P([O-])([O-])O.[K+].[K+]
InChIInChI=1S/C24H50O.2K.H3O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;;;1-5(2,3)4/h3-24H2,1-2H3;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyRHCULTOGASJMTM-UHFFFAOYSA-L
MW528.84 g/mol
LogP0.66
Rot. Bonds22

About dipotassium;1-dodecoxydodecane;hydrogen phosphate

dipotassium;1-dodecoxydodecane;hydrogen phosphate (PubChem CID 173239706) has the molecular formula C24H51K2O5P and a molecular weight of 528.84 g/mol. Its IUPAC name is dipotassium;1-dodecoxydodecane;hydrogen phosphate.

Molecular Properties

Compound Namedipotassium;1-dodecoxydodecane;hydrogen phosphate
PubChem CID173239706
Molecular FormulaC24H51K2O5P
Molecular Weight528.84 g/mol
Exact Mass528.27
IUPAC Namedipotassium;1-dodecoxydodecane;hydrogen phosphate
SMILESCCCCCCCCCCCCOCCCCCCCCCCCC.O=P([O-])([O-])O.[K+].[K+]
InChIInChI=1S/C24H50O.2K.H3O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;;;1-5(2,3)4/h3-24H2,1-2H3;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyRHCULTOGASJMTM-UHFFFAOYSA-L
XLogP0.66
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.84
LogP ≤ 50.66
H-Bond Donors ≤ 51
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

potassium;hydride;1-nonoxynonane;phosphoric acid
CID 173401675
tripotassium;2-tridecoxyethanol;phosphate
CID 22833352
2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 21121356
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 21116399
azane;1-decoxydecane;ethanol;phosphoric acid
CID 174485868
phosphono dihydrogen phosphate;1-tridecoxytridecane
CID 174553837
trisodium;bis(2-(2-dodecoxyethoxy)ethanol);phosphate
CID 173332981
trisodium;2-(2-nonoxyethoxy)ethanol;phosphate
CID 173390917
dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 21118630
potassium;hexadecyl hydrogen phosphate;phosphoric acid
CID 162057892
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-dodecoxydodecane;hydrogen phosphate?
The IUPAC name of dipotassium;1-dodecoxydodecane;hydrogen phosphate (CID 173239706) is dipotassium;1-dodecoxydodecane;hydrogen phosphate.
What is the SMILES notation for dipotassium;1-dodecoxydodecane;hydrogen phosphate?
The canonical SMILES for dipotassium;1-dodecoxydodecane;hydrogen phosphate is CCCCCCCCCCCCOCCCCCCCCCCCC.O=P([O-])([O-])O.[K+].[K+].
What is the InChIKey of dipotassium;1-dodecoxydodecane;hydrogen phosphate?
The InChIKey is RHCULTOGASJMTM-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H50O.2K.H3O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;;;1-5(2,3)4/h3-24H2,1-2H3;;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dipotassium;1-dodecoxydodecane;hydrogen phosphate?
dipotassium;1-dodecoxydodecane;hydrogen phosphate has a molecular weight of 528.84 g/mol, XLogP of 0.66, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-dodecoxydodecane;hydrogen phosphate is sourced from PubChem (CID 173239706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).