COBALT DICAPRYLATE

General Information

Mainterm	COBALT DICAPRYLATE
CAS Reg.No.(or other ID)	1588-79-0
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	6451291
IUPAC Name	cobalt(2+);octanoate
InChI	InChI=1S/2C8H16O2.Co/c21-2-3-4-5-6-7-8(9)10;/h22-7H2,1H3,(H,9,10);/q;;+2/p-2
InChI Key	HWVKIRQMNIWOLT-UHFFFAOYSA-L
Canonical SMILES	CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Co+2]
Molecular Formula	C16H30CoO4
Wikipedia	cobaltous octanoate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	345.345
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Complexity	83.7
CACTVS Substructure Key Fingerprint	A A A D c e 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	345.148
Exact Mass	345.148
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	21
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