sodium;hydride;octanoyl octadecanoate

C26H51NaO3 — CID 173299765

IUPACsodium;hydride;octanoyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCC.[H-].[Na+]
InChIInChI=1S/C26H50O3.Na.H/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-26(28)29-25(27)23-21-19-8-6-4-2;;/h3-24H2,1-2H3;;/q;+1;-1
InChIKeyQMNCKZYCPPBZJB-UHFFFAOYSA-N
MW434.68 g/mol
LogP5.79
Rot. Bonds22

About sodium;hydride;octanoyl octadecanoate

sodium;hydride;octanoyl octadecanoate (PubChem CID 173299765) has the molecular formula C26H51NaO3 and a molecular weight of 434.68 g/mol. Its IUPAC name is sodium;hydride;octanoyl octadecanoate.

Molecular Properties

Compound Namesodium;hydride;octanoyl octadecanoate
PubChem CID173299765
Molecular FormulaC26H51NaO3
Molecular Weight434.68 g/mol
Exact Mass434.37
IUPAC Namesodium;hydride;octanoyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCC.[H-].[Na+]
InChIInChI=1S/C26H50O3.Na.H/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-26(28)29-25(27)23-21-19-8-6-4-2;;/h3-24H2,1-2H3;;/q;+1;-1
InChIKeyQMNCKZYCPPBZJB-UHFFFAOYSA-N
XLogP5.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.68
LogP ≤ 55.79
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

barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
dimagnesium;hydride;octanoyl nonanoate
CID 173350216
pentadecanoyl hexadecanoate
CID 87499774
henicosanoyl docosanoate
CID 175302110
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
dodecanoyl dodecanoate;ethanol
CID 157135932
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;octanoyl octadecanoate?
The IUPAC name of sodium;hydride;octanoyl octadecanoate (CID 173299765) is sodium;hydride;octanoyl octadecanoate.
What is the SMILES notation for sodium;hydride;octanoyl octadecanoate?
The canonical SMILES for sodium;hydride;octanoyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCC.[H-].[Na+].
What is the InChIKey of sodium;hydride;octanoyl octadecanoate?
The InChIKey is QMNCKZYCPPBZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O3.Na.H/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-26(28)29-25(27)23-21-19-8-6-4-2;;/h3-24H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;octanoyl octadecanoate?
sodium;hydride;octanoyl octadecanoate has a molecular weight of 434.68 g/mol, XLogP of 5.79, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;octanoyl octadecanoate is sourced from PubChem (CID 173299765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).