COBALTOUS DECANOATE

General Information

Mainterm	COBALTOUS DECANOATE
CAS Reg.No.(or other ID)	14033-48-8
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	13122495
IUPAC Name	cobalt(2+);decanoate
InChI	InChI=1S/2C10H20O2.Co/c21-2-3-4-5-6-7-8-9-10(11)12;/h22-9H2,1H3,(H,11,12);/q;;+2/p-2
InChI Key	CTIHZTFULZJBGQ-UHFFFAOYSA-L
Canonical SMILES	CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Co+2]
Molecular Formula	C20H38CoO4
Wikipedia	cobaltous caprate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	401.453
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Complexity	105.0
CACTVS Substructure Key Fingerprint	A A A D c f B 4 O A A A A A A Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A A A A A C A C A g A A C C A A A A A A I A A C Q C A A A A A A A A A A A A A E A A A A A A B I A A A A A A A A E A A A A A A G I y K C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	80.3
Monoisotopic Mass	401.21
Exact Mass	401.21
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	25
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Medium-chain fatty acids
Alternative Parents	Monocarboxylic acids and derivatives Carbonyl compounds Organic cobalt salts Hydrocarbon derivatives Straight chain fatty acids Organic oxides Organic cations Carboxylic acids Carboxylic acid salts
Molecular Framework	Not available
Substituents	Medium-chain fatty acid - Straight chain fatty acid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic transition metal salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic salt - Organic cobalt salt - Organic oxygen compound - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

From ClassyFire