tripotassium;2-hexyldecan-1-ol;phosphate

C16H34K3O5P — CID 175022453

IUPACtripotassium;2-hexyldecan-1-ol;phosphate
SMILESCCCCCCCCC(CO)CCCCCC.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C16H34O.3K.H3O4P/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2;;;;1-5(2,3)4/h16-17H,3-15H2,1-2H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyIKFCXKMPUYUJNR-UHFFFAOYSA-K
MW454.71 g/mol
LogP-6.50
Rot. Bonds13

About tripotassium;2-hexyldecan-1-ol;phosphate

tripotassium;2-hexyldecan-1-ol;phosphate (PubChem CID 175022453) has the molecular formula C16H34K3O5P and a molecular weight of 454.71 g/mol. Its IUPAC name is tripotassium;2-hexyldecan-1-ol;phosphate.

Molecular Properties

Compound Nametripotassium;2-hexyldecan-1-ol;phosphate
PubChem CID175022453
Molecular FormulaC16H34K3O5P
Molecular Weight454.71 g/mol
Exact Mass454.11
IUPAC Nametripotassium;2-hexyldecan-1-ol;phosphate
SMILESCCCCCCCCC(CO)CCCCCC.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C16H34O.3K.H3O4P/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2;;;;1-5(2,3)4/h16-17H,3-15H2,1-2H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyIKFCXKMPUYUJNR-UHFFFAOYSA-K
XLogP-6.50
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.71
LogP ≤ 5-6.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
2-nonylundecan-1-ol
CID 14397092
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
ethanol;2-heptylnonan-1-ol
CID 122482877
(2S)-2-propyldecan-1-ol
CID 10176571
2-propyldodecan-1-ol
CID 14438908
2-propylheptadecan-1-ol
CID 137441509
2-pentadecylpropane-1,3-diol
CID 91351654

Frequently Asked Questions

What is the IUPAC name of tripotassium;2-hexyldecan-1-ol;phosphate?
The IUPAC name of tripotassium;2-hexyldecan-1-ol;phosphate (CID 175022453) is tripotassium;2-hexyldecan-1-ol;phosphate.
What is the SMILES notation for tripotassium;2-hexyldecan-1-ol;phosphate?
The canonical SMILES for tripotassium;2-hexyldecan-1-ol;phosphate is CCCCCCCCC(CO)CCCCCC.O=P([O-])([O-])[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;2-hexyldecan-1-ol;phosphate?
The InChIKey is IKFCXKMPUYUJNR-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H34O.3K.H3O4P/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2;;;;1-5(2,3)4/h16-17H,3-15H2,1-2H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of tripotassium;2-hexyldecan-1-ol;phosphate?
tripotassium;2-hexyldecan-1-ol;phosphate has a molecular weight of 454.71 g/mol, XLogP of -6.50, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;2-hexyldecan-1-ol;phosphate is sourced from PubChem (CID 175022453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).