Calcium cyclohexanebutyrate

CAT: 0024-sc-252538Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-252538Size:1 g

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CAS Number

110861-66-0

Chemical Information

Calcium cyclohexanebutyrate

CAS Number	110861-66-0
PubChem CID	6100357
IUPAC Name	calcium bis(4-cyclohexylbutanoate)
Molecular Formula	C20H34CaO4
Molecular Weight	378.6
Topological Polar Surface Area	80.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	131

SMILES

C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H18O2.Ca/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2

InChIKey

HJZOVZBKGRJCRX-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 110861-66-0

CID: 6100357

Formula: C20H34CaO4

MW: 378.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	378.2083004
Monoisotopic Mass	378.2083004
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	131
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
sc-278801	Cadmium cyclohexanebutyrate
sc-355947	Potassium cyclohexanebutyrate
sc-272507	Strontium cyclohexanebutyrate
sc-499413	Silver cyclohexanebutyrate
sc-355947A	Potassium cyclohexanebutyrate
sc-278717	Barium cyclohexanebutyrate
sc-279266	Lead (II) cyclohexanebutyrate
sc-280200	Zinc cyclohexanebutyrate dihydrate
sc-268775	Copper (II) cyclohexanebutyrate
sc-279275	Lithium cyclohexanebutyrate, AAS

Catalog	Name
M04250	Mercuric Cyclohexanebutyrate
OR1026928-01	Sodium Cyclohexanebutyrate
JH394443	POTASSIUM CYCLOHEXANEBUTYRATE
S02935	Silver Cyclohexanebutyrate
N04750-01	Nickel cyclohexanebutyrate
OR1043617	Barium cyclohexanebutyrate
S09570	Strontium Cyclohexanebutyrate
C00200	Cadmium cyclohexanebutyrate
A16100	Aluminum cyclohexanebutyrate 95%
C27220	Cupric cyclohexanebutyrate AAS