potassium;hydride;1-nonoxynonane;phosphoric acid

C18H42KO5P — CID 173401675

IUPACpotassium;hydride;1-nonoxynonane;phosphoric acid
SMILESCCCCCCCCCOCCCCCCCCC.O=P(O)(O)O.[H-].[K+]
InChIInChI=1S/C18H38O.K.H3O4P.H/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-18H2,1-2H3;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyYGALVASZNZKJDS-UHFFFAOYSA-N
MW408.60 g/mol
LogP2.69
Rot. Bonds16

About potassium;hydride;1-nonoxynonane;phosphoric acid

potassium;hydride;1-nonoxynonane;phosphoric acid (PubChem CID 173401675) has the molecular formula C18H42KO5P and a molecular weight of 408.60 g/mol. Its IUPAC name is potassium;hydride;1-nonoxynonane;phosphoric acid.

Molecular Properties

Compound Namepotassium;hydride;1-nonoxynonane;phosphoric acid
PubChem CID173401675
Molecular FormulaC18H42KO5P
Molecular Weight408.60 g/mol
Exact Mass408.24
IUPAC Namepotassium;hydride;1-nonoxynonane;phosphoric acid
SMILESCCCCCCCCCOCCCCCCCCC.O=P(O)(O)O.[H-].[K+]
InChIInChI=1S/C18H38O.K.H3O4P.H/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-18H2,1-2H3;;(H3,1,2,3,4);/q;+1;;-1
InChIKeyYGALVASZNZKJDS-UHFFFAOYSA-N
XLogP2.69
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.60
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium;hydride;1-nonoxynonane;phosphoric acid 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

dipotassium;1-dodecoxydodecane;hydrogen phosphate
CID 173239706
azane;1-decoxydecane;ethanol;phosphoric acid
CID 174485868
phosphono dihydrogen phosphate;1-tridecoxytridecane
CID 174553837
dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 21118630
potassium;hydride;1-octadecoxyoctadecane;sulfuric acid
CID 173372797
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
tripotassium;2-tridecoxyethanol;phosphate
CID 22833352
1,1-dibromo-6-hexoxyhexane;phosphoric acid
CID 175364801
1-dodecoxyhexadecane
CID 22256973
dodecane;phosphoric acid
CID 88801558

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;1-nonoxynonane;phosphoric acid?
The IUPAC name of potassium;hydride;1-nonoxynonane;phosphoric acid (CID 173401675) is potassium;hydride;1-nonoxynonane;phosphoric acid.
What is the SMILES notation for potassium;hydride;1-nonoxynonane;phosphoric acid?
The canonical SMILES for potassium;hydride;1-nonoxynonane;phosphoric acid is CCCCCCCCCOCCCCCCCCC.O=P(O)(O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;1-nonoxynonane;phosphoric acid?
The InChIKey is YGALVASZNZKJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O.K.H3O4P.H/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-18H2,1-2H3;;(H3,1,2,3,4);/q;+1;;-1.
What are the key properties of potassium;hydride;1-nonoxynonane;phosphoric acid?
potassium;hydride;1-nonoxynonane;phosphoric acid has a molecular weight of 408.60 g/mol, XLogP of 2.69, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;1-nonoxynonane;phosphoric acid is sourced from PubChem (CID 173401675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).