Dimethyl camphorate

CAT: 0127-OR24745-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR24745-01Size:100 mg

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CAS Number

7282-27-1

MDL Number

MFCD00087534

Purity

95%

Smiles

COC(=O)C1CCC(C)(C(=O)OC)C1(C)C

Chemical Information

Dimethyl 1,2,2-trimethyl-1,3-cyclopentanedicarboxylate

Dimethyl camphorate is a dicarboxylic acid.

CAS Number	7282-27-1
PubChem CID	348846
IUPAC Name	dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
Molecular Formula	C12H20O4
Molecular Weight	228.28
XLogP	2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	308

SMILES

CC1(C(CCC1(C)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C12H20O4/c1-11(2)8(9(13)15-4)6-7-12(11,3)10(14)16-5/h8H,6-7H2,1-5H3

InChIKey

JTQKJWYDOXYYBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7282-27-1

CID: 348846

Formula: C12H20O4

MW: 228.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.28
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	228.13615911
Monoisotopic Mass	228.13615911
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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OR51882	Dimethyl ether

Catalog	Name
DCA37047	Hexamethylenetetramine camphorate
TRC-D670270-500MG	(1R,3S)-Divinyl d-camphorate
AR-E10862-01	Europium tris[3- (Heptafluoropropylhydroxymethylene) - (+) -Camphorate
FE98265-01	Europium tris[3- (heptafluoropropylhydroxymethylene) - (+) -camphorate]
AR-E10863-01	Europium tris[3- (Heptafluoropropylhydroxymethylene) - (-) -Camphorate
sc-255168	Europium tris[3- (trifluoromethylhydroxymethylene) - (+) -camphorate]
AR-Y01020-01	Ytterbium tris[3- (Heptafluoropropylhydroxymethylene) - (+) -Camphorate
sc-300685A	Europium tris[3- (heptafluoropropylhydroxymethylene) - (-) -camphorate]
AR-Y01021-01	Ytterbium tris[3- (Heptafluoropropylhydroxymethylene) - (-) -Camphorate
sc-268930	Dimethyl 2,2-dimethyl-malonate