tripotassium;2-tridecoxyethanol;phosphate

C15H32K3O6P — CID 22833352

IUPACtripotassium;2-tridecoxyethanol;phosphate
SMILESCCCCCCCCCCCCCOCCO.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C15H32O2.3K.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16;;;;1-5(2,3)4/h16H,2-15H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyFZDZBILXWDNSRM-UHFFFAOYSA-K
MW456.68 g/mol
LogP-7.51
Rot. Bonds14

About tripotassium;2-tridecoxyethanol;phosphate

tripotassium;2-tridecoxyethanol;phosphate (PubChem CID 22833352) has the molecular formula C15H32K3O6P and a molecular weight of 456.68 g/mol. Its IUPAC name is tripotassium;2-tridecoxyethanol;phosphate.

Molecular Properties

Compound Nametripotassium;2-tridecoxyethanol;phosphate
PubChem CID22833352
Molecular FormulaC15H32K3O6P
Molecular Weight456.68 g/mol
Exact Mass456.08
IUPAC Nametripotassium;2-tridecoxyethanol;phosphate
SMILESCCCCCCCCCCCCCOCCO.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C15H32O2.3K.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16;;;;1-5(2,3)4/h16H,2-15H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyFZDZBILXWDNSRM-UHFFFAOYSA-K
XLogP-7.51
TPSA115.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.68
LogP ≤ 5-7.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tripotassium;2-tridecoxyethanol;phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trisodium;bis(2-(2-dodecoxyethoxy)ethanol);phosphate
CID 173332981
trisodium;2-(2-nonoxyethoxy)ethanol;phosphate
CID 173390917
dipotassium;1-dodecoxydodecane;hydrogen phosphate
CID 173239706
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491
2-heptoxyethanol
CID 23889
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922

Frequently Asked Questions

What is the IUPAC name of tripotassium;2-tridecoxyethanol;phosphate?
The IUPAC name of tripotassium;2-tridecoxyethanol;phosphate (CID 22833352) is tripotassium;2-tridecoxyethanol;phosphate.
What is the SMILES notation for tripotassium;2-tridecoxyethanol;phosphate?
The canonical SMILES for tripotassium;2-tridecoxyethanol;phosphate is CCCCCCCCCCCCCOCCO.O=P([O-])([O-])[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;2-tridecoxyethanol;phosphate?
The InChIKey is FZDZBILXWDNSRM-UHFFFAOYSA-K. The full InChI is InChI=1S/C15H32O2.3K.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16;;;;1-5(2,3)4/h16H,2-15H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of tripotassium;2-tridecoxyethanol;phosphate?
tripotassium;2-tridecoxyethanol;phosphate has a molecular weight of 456.68 g/mol, XLogP of -7.51, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;2-tridecoxyethanol;phosphate is sourced from PubChem (CID 22833352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).