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
    4.5990   -1.1484    0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1865   -1.3991   -0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.3072    0.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -0.3678   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758   -1.4020   -0.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410    0.6729    0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492    1.7661    0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4431    2.8810    1.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482    0.5380   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235    1.4063    0.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7731   -0.6127   -0.7235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -0.8558   -1.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0646   -0.8583    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1466   -0.7305   -0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874   -2.0866    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6656   -0.3875    1.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445   -1.5526   -1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115   -2.3172    0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5144    1.8708    1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9190    3.3437    0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410    3.6635    1.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328    2.5390    1.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -0.1470   -1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1251   -1.8687   -1.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8508   -0.0853   -0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5150   -0.7202    0.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6219   -1.8343    0.1249 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