dipotassium;acetyl octadecanoate;hydride

C20H40K2O3 — CID 174377662

IUPACdipotassium;acetyl octadecanoate;hydride
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(C)=O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C20H38O3.2K.2H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)23-19(2)21;;;;/h3-18H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyWLBQAHAOLLIABD-UHFFFAOYSA-N
MW406.73 g/mol
LogP0.57
Rot. Bonds16

About dipotassium;acetyl octadecanoate;hydride

dipotassium;acetyl octadecanoate;hydride (PubChem CID 174377662) has the molecular formula C20H40K2O3 and a molecular weight of 406.73 g/mol. Its IUPAC name is dipotassium;acetyl octadecanoate;hydride.

Molecular Properties

Compound Namedipotassium;acetyl octadecanoate;hydride
PubChem CID174377662
Molecular FormulaC20H40K2O3
Molecular Weight406.73 g/mol
Exact Mass406.23
IUPAC Namedipotassium;acetyl octadecanoate;hydride
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(C)=O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C20H38O3.2K.2H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)23-19(2)21;;;;/h3-18H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyWLBQAHAOLLIABD-UHFFFAOYSA-N
XLogP0.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.73
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;acetyl octanoate;cobalt;hydride
CID 174292734
acetyl dodecanoate;azane
CID 174531393
acetyl (Z)-octadec-9-enoate
CID 11174744
dimagnesium;hydride;octanoyl nonanoate
CID 173350216
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
sodium;hydride;octanoyl octadecanoate
CID 173299765
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
henicosanoyl docosanoate
CID 175302110
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185

Frequently Asked Questions

What is the IUPAC name of dipotassium;acetyl octadecanoate;hydride?
The IUPAC name of dipotassium;acetyl octadecanoate;hydride (CID 174377662) is dipotassium;acetyl octadecanoate;hydride.
What is the SMILES notation for dipotassium;acetyl octadecanoate;hydride?
The canonical SMILES for dipotassium;acetyl octadecanoate;hydride is CCCCCCCCCCCCCCCCCC(=O)OC(C)=O.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;acetyl octadecanoate;hydride?
The InChIKey is WLBQAHAOLLIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3.2K.2H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)23-19(2)21;;;;/h3-18H2,1-2H3;;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;acetyl octadecanoate;hydride?
dipotassium;acetyl octadecanoate;hydride has a molecular weight of 406.73 g/mol, XLogP of 0.57, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;acetyl octadecanoate;hydride is sourced from PubChem (CID 174377662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).