CAS 94-60-0|DIMETHYL 1,4-CYCLOHEXANEDICARBOXYLATE|1,4-dimethyl cyclohexane-1,4-dicarboxylate|1,4-dimethyl cyclohexane-1,4-dicarboxylate|Dimethyl cyclohexane-1,4-dicarboxylate, mixture of cis and tra...

General Information

Structure

Molecular Formula

C₁₀H₁₆O₄

Molecular Mass

200.23164

Exact Mass

200.10485899

Charge

InChI

InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3

InChIKey

LNGAGQAGYITKCW-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CCC(CC1)C(=O)OC

Isomeric Smiles

COC(=O)C1CCC(CC1)C(=O)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4046891

LogD (pH = 7.4)

1.4046891

Log P

1.4046891

Molar Refractivity

49.624

Polarizability

20.010502

Polar Surface Area

52.6

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

DIMETHYL 1,4-CYCLOHEXANEDICARBOXYLATEDimethyl cyclohexane-1,4-dicarboxylate, mixture of cis and trans1,4-环己烷二羧酸二甲酯，顺反异构体混合物Dimethyl cyclohexane-1,4-dicarboxylate1,4-环己烷二羧酸二甲酯dimethyl cyclohexane-1,4-dicarboxylate

IUPAC name

1,4-dimethyl cyclohexane-1,4-dicarboxylate

IUPAC Traditional name

1,4-dimethyl cyclohexane-1,4-dicarboxylate

Names and Identifiers

Registration numbers

CAS Number

94-60-0

EC Number

202-347-5

PubChem CID

7198