tripotassium;dodecanoate;hexadecanoate;tetradecanoate

C42H81K3O6 — CID 161147915

IUPACtripotassium;dodecanoate;hexadecanoate;tetradecanoate
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C16H32O2.C14H28O2.C12H24O2.3K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2-15H2,1H3,(H,17,18);2-13H2,1H3,(H,15,16);2-11H2,1H3,(H,13,14);;;/q;;;3*+1/p-3
InChIKeyYAVQNYAYCQWFNX-UHFFFAOYSA-K
MW799.40 g/mol
LogP1.32
Rot. Bonds36

About tripotassium;dodecanoate;hexadecanoate;tetradecanoate

tripotassium;dodecanoate;hexadecanoate;tetradecanoate (PubChem CID 161147915) has the molecular formula C42H81K3O6 and a molecular weight of 799.40 g/mol. Its IUPAC name is tripotassium;dodecanoate;hexadecanoate;tetradecanoate.

Molecular Properties

Compound Nametripotassium;dodecanoate;hexadecanoate;tetradecanoate
PubChem CID161147915
Molecular FormulaC42H81K3O6
Molecular Weight799.40 g/mol
Exact Mass798.49
IUPAC Nametripotassium;dodecanoate;hexadecanoate;tetradecanoate
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C16H32O2.C14H28O2.C12H24O2.3K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2-15H2,1H3,(H,17,18);2-13H2,1H3,(H,15,16);2-11H2,1H3,(H,13,14);;;/q;;;3*+1/p-3
InChIKeyYAVQNYAYCQWFNX-UHFFFAOYSA-K
XLogP1.32
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500799.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium heptanoate
CID 23681741
potassium decanoate
CID 23688501
potassium heptadecanoate
CID 23668524
potassium pentadecanoate
CID 23696764
octapotassium;octakis(decanoate)
CID 23617120
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
calcium;hexadecanoate;octadecanoate
CID 22065418
manganese(2+);bis(tricosanoate)
CID 100951425

Frequently Asked Questions

What is the IUPAC name of tripotassium;dodecanoate;hexadecanoate;tetradecanoate?
The IUPAC name of tripotassium;dodecanoate;hexadecanoate;tetradecanoate (CID 161147915) is tripotassium;dodecanoate;hexadecanoate;tetradecanoate.
What is the SMILES notation for tripotassium;dodecanoate;hexadecanoate;tetradecanoate?
The canonical SMILES for tripotassium;dodecanoate;hexadecanoate;tetradecanoate is CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;dodecanoate;hexadecanoate;tetradecanoate?
The InChIKey is YAVQNYAYCQWFNX-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H32O2.C14H28O2.C12H24O2.3K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2-15H2,1H3,(H,17,18);2-13H2,1H3,(H,15,16);2-11H2,1H3,(H,13,14);;;/q;;;3*+1/p-3.
What are the key properties of tripotassium;dodecanoate;hexadecanoate;tetradecanoate?
tripotassium;dodecanoate;hexadecanoate;tetradecanoate has a molecular weight of 799.40 g/mol, XLogP of 1.32, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;dodecanoate;hexadecanoate;tetradecanoate is sourced from PubChem (CID 161147915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).