Diethyl cyclohexane-1,4-dicarboxylate

CAT: 0127-OR1070580-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1070580-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

72903-27-6

MDL Number

MFCD12973977

Purity

95%

Smiles

CCOC(=O)C1CCC(CC1)C(=O)OCC

Chemical Information

Diethyl 1,4-cyclohexanedicarboxylate

CAS Number	72903-27-6
PubChem CID	254555
IUPAC Name	diethyl cyclohexane-1,4-dicarboxylate
Molecular Formula	C12H20O4
Molecular Weight	228.28
XLogP	1.9
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	215

SMILES

CCOC(=O)C1CCC(CC1)C(=O)OCC

InChI

InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3

InChIKey

KRJHRNUTLDTSKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72903-27-6

CID: 254555

Formula: C12H20O4

MW: 228.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.28
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	228.13615911
Monoisotopic Mass	228.13615911
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	215
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	1
Compound Is Canonicalized	Yes

Catalog	Name
OR6623-01	Diethyl cyclohexane-1,1-dicarboxylate
OR1024821-01	Diethyl Cyclohexane-1,2-Dicarboxylate
OR1028811-01	Diethyl Trans-4-Cyclohexene-1,2-Dicarboxylate
OR1078188	Diethyl cis-4-Cyclohexene-1,2-dicarboxylate
OR480605-01	Diethyl benzene-1,4-dicarboxylate
OR1012694-01	Cis-Dimethyl Cyclohexane-1,4-Dicarboxylate
OR307137-01	Dimethyl trans-1,4-cyclohexane-dicarboxylate
OR22900-01	Diethyl 4-oxocyclohexane-1,1-dicarboxylate
OR1060615-01	Diethyl 4-methylenecyclohexane-1,1-dicarboxylate
OR1005947	Diethyl 4-aminocyclohexane-1,1-dicarboxylate

Catalog	Name
XCA90326-01	1,3-Diethyl cyclohexane-1,3-dicarboxylate
sc-471738	Diethyl Azoxybenzene-4,4'-dicarboxylate
459826-01	N, N-Diethyl-cyclohexane-1,4-diamine
446876-01	Diethyl thiophene-3,4-dicarboxylate
HY-W025062-01	Diethyl pyridine-2,4-dicarboxylate
RG-D090531-01	Diethyl Cyclopropane-1,1-Dicarboxylate
sc-234656	Diethyl cyclobutane-1,1-dicarboxylate
AR-C08683-01	Diethyl 1,1-Cyclopropane Dicarboxylate
AAA78707-01	Diethyl 1,4-cyclohexanedione-2,5-dicarboxylate
JH181915	Diethyl 2,5-dibromobenzene-1,4-dicarboxylate