CAS 632-93-9|3,5-diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate|3,5-DICARBETHOXY-1,4-DIHYDRO-2,4,6-TRIMETHYLPYRIDINE|3,5-diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate|...

General Information

Structure

Molecular Formula

C₁₄H₂₁NO₄

Molecular Mass

267.32084

Exact Mass

267.14705816

Charge

InChI

InChI=1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3

InChIKey

CDVAIHNNWWJFJW-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1=C(C)NC(=C(C1C)C(=O)OCC)C

Isomeric Smiles

CCOC(=O)C1=C(C)NC(=C(C1C)C(=O)OCC)C

Calculated Properties

JChem

LogD (pH = 7.4)

1.46

LogD (pH = 5.5)

1.46

Log P

1.46

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

17.10

Polar Surface Area

64.63

Polarizability

29.60

Molar Refractivity

74.24

LOG S

-2.05

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

3,5-diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Synonyms

3,5-DICARBETHOXY-1,4-DIHYDRO-2,4,6-TRIMETHYLPYRIDINE3,5-二乙氧基羰基-1,4-二氢-2,4,6-三甲基吡啶Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylateDDC1,4-二氢-2,4,6-三甲基-3,5-吡啶二甲酸二乙酯3,5-Dicarbethoxy-1,4-dihydrocollidine3,5-diethoxycarbonyl-1,4-dihydrocollidineDDCdicarbethoxydihydrocollidine3,5-bis(ethoxycarbonyl)-1,4-dihydrocollidine

IUPAC Traditional name

3,5-diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Names and Identifiers

Registration numbers

CAS Number

632-93-9

EC Number

211-188-0

PubChem SID

16209430024848309223448321

PubChem CID

12446