sodium;acetyl octanoate;cobalt;hydride

C10H19CoNaO3 — CID 174292734

IUPACsodium;acetyl octanoate;cobalt;hydride
SMILESCCCCCCCC(=O)OC(C)=O.[Co].[H-].[Na+]
InChIInChI=1S/C10H18O3.Co.Na.H/c1-3-4-5-6-7-8-10(12)13-9(2)11;;;/h3-8H2,1-2H3;;;/q;;+1;-1
InChIKeyNUAFXSVDJAEUQK-UHFFFAOYSA-N
MW269.18 g/mol
LogP-0.45
Rot. Bonds6

About sodium;acetyl octanoate;cobalt;hydride

sodium;acetyl octanoate;cobalt;hydride (PubChem CID 174292734) has the molecular formula C10H19CoNaO3 and a molecular weight of 269.18 g/mol. Its IUPAC name is sodium;acetyl octanoate;cobalt;hydride.

Molecular Properties

Compound Namesodium;acetyl octanoate;cobalt;hydride
PubChem CID174292734
Molecular FormulaC10H19CoNaO3
Molecular Weight269.18 g/mol
Exact Mass269.06
IUPAC Namesodium;acetyl octanoate;cobalt;hydride
SMILESCCCCCCCC(=O)OC(C)=O.[Co].[H-].[Na+]
InChIInChI=1S/C10H18O3.Co.Na.H/c1-3-4-5-6-7-8-10(12)13-9(2)11;;;/h3-8H2,1-2H3;;;/q;;+1;-1
InChIKeyNUAFXSVDJAEUQK-UHFFFAOYSA-N
XLogP-0.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 5-0.45
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'}

Analyze sodium;acetyl octanoate;cobalt;hydride 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;acetyl octadecanoate;hydride
CID 174377662
acetyl dodecanoate;azane
CID 174531393
sodium;hydride;octanoyl octadecanoate
CID 173299765
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
ditetradecanoyl hexanedioate
CID 175560209
pentadecanoyl hexadecanoate
CID 87499774
henicosanoyl docosanoate
CID 175302110
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185

Frequently Asked Questions

What is the IUPAC name of sodium;acetyl octanoate;cobalt;hydride?
The IUPAC name of sodium;acetyl octanoate;cobalt;hydride (CID 174292734) is sodium;acetyl octanoate;cobalt;hydride.
What is the SMILES notation for sodium;acetyl octanoate;cobalt;hydride?
The canonical SMILES for sodium;acetyl octanoate;cobalt;hydride is CCCCCCCC(=O)OC(C)=O.[Co].[H-].[Na+].
What is the InChIKey of sodium;acetyl octanoate;cobalt;hydride?
The InChIKey is NUAFXSVDJAEUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.Co.Na.H/c1-3-4-5-6-7-8-10(12)13-9(2)11;;;/h3-8H2,1-2H3;;;/q;;+1;-1.
What are the key properties of sodium;acetyl octanoate;cobalt;hydride?
sodium;acetyl octanoate;cobalt;hydride has a molecular weight of 269.18 g/mol, XLogP of -0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetyl octanoate;cobalt;hydride is sourced from PubChem (CID 174292734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).