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
   -3.1294    1.6451    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721    0.9791    1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1574    0.4013    0.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938   -0.5890   -0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719   -0.9819   -0.6956 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215   -1.1073   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062   -2.0683   -1.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801   -2.6107   -2.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.5971    0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5224   -1.0911   -0.2901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090    0.3756    1.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    0.9025    1.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4422    1.5058    0.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0884    2.7518    0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7446    1.2759   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    1.3641    0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0845    1.7099    2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.1705    1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2784   -2.4533   -1.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5171   -3.1174   -1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6001   -3.4071   -2.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489   -1.8617   -2.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961    1.6374    2.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1446    0.1068    2.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2609    2.6170    0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4881    1.2832    0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345    1.1589   -0.4207 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