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
   -4.3162   -0.1974   -0.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -1.1632   -1.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9678   -0.7495   -1.1776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443   -0.6337    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360   -0.9043    1.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440   -0.2207    0.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009   -0.1308    1.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    0.2865    2.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6963    0.0952   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685    0.0103   -1.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725    0.4992    0.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    0.7880   -0.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2441    1.2075   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1714   -0.1762   -1.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8935    0.8439   -0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6326   -0.5491    0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3632   -1.2764   -2.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4497   -2.1545   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8944   -0.3722    2.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9522   -0.4920    2.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1661    0.3162    3.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090    1.3052    2.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857    1.5822   -1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.0994   -1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3567    0.8276    0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2424    2.3305   -0.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1162    0.9094   -0.9102 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