Monomers

Diethyl ethylidenemalonate

Identifiers

IUPAC name
diethyl 2-ethylidenepropanedioate
InchI
InChI=1S/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3
InchI Key
LBBAWVLUOZVYCC-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=CC)C(=O)OCC
Canonical SMILES
CCOC(=O)C(=CC)C(=O)OCC
Isomeric SMILES
CCOC(=O)C(=CC)C(=O)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H14O4
Heavy Atom Count
13
Molecular Weight
186.207
Exact Molecular Weight
186.0892
Valence Electrons
74
Radical Electrons
0
tPSA
52.6
MolLogP
1.0589
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 27 26  0  0  0  0  0  0  0  0999 V2000
   -3.2041   -2.1905    0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371   -0.7332    0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -0.3672    0.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3755    0.9518    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3542    1.7653   -0.0498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0226    1.4248   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2025    2.6747   -0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644    3.2437   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0758    0.4986    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2608    0.8770   -0.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597   -0.8370    0.3117 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -1.7089    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -1.7183   -0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9449   -2.3765    1.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2996   -2.4247    0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -2.8539    0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6600   -0.4315   -0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4867   -0.1621    1.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6756    3.3377   -0.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554    2.7644   -1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840    4.3548   -0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216    3.1482    0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6476   -1.3713    1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6735   -2.7441    0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7879   -1.4593   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2701   -0.9704   -1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436   -2.6920   -1.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers