CAS 1559-02-0|Diethyl 1,1-cyclopropane dicarboxyliate|1,1-diethyl cyclopropane-1,1-dicarboxylate|1,1-diethyl cyclopropane-1,1-dicarboxylate|diethyl cyclopropane-1,1-dicarboxylate|1,1-diethyl cyclopr...

General Information

Structure

Molecular Formula

C₉H₁₄O₄

Molecular Mass

186.20506

Exact Mass

186.08920893

Charge

InChI

InChI=1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3

InChIKey

KYYUCZOHNYSLFV-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1(CC1)C(=O)OCC

Isomeric Smiles

C1CC1(C(=O)OCC)C(=O)OCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3095614

LogD (pH = 7.4)

1.3095614

Log P

1.3095614

Molar Refractivity

45.2965

Polarizability

18.185108

Polar Surface Area

52.6

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Diethyl 1,1-cyclopropane dicarboxyliatediethyl cyclopropane-1,1-dicarboxylate1,1-diethyl cyclopropane-1,1-dicarboxylateDiethyl 1,1-CyclopropanedicarboxylateDiethyl cyclopropane-1,1-dicarboxylateCyclopropane-1,1-dicarboxylic diethyl esterDiethyl 1,1-Cyclopropanedicarboxylate1,1-DicarbethoxycyclopropaneEthyl 1,1-CyclopropanedicarboxylateNSC 213761,1-Bis(ethoxycarbonyl)cyclopropane1,1-Cyclopropanedicarboxylic Acid, 1,1-Diethyl Ester1,1-环丙基二羧酸二乙酯

IUPAC Traditional name

1,1-diethyl cyclopropane-1,1-dicarboxylate

IUPAC name

1,1-diethyl cyclopropane-1,1-dicarboxylate

Names and Identifiers

Registration numbers

CAS Number

1559-02-0

MDL Number

MFCD00001283

Beilstein Number

2049509