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
    3.4492   -0.5679    0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755   -1.1774   -0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2995   -0.6028   -0.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1805    0.7545   -0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348    1.4127   -0.5487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    1.4298   -0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961    2.7186   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5033    3.4066   -0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129    0.6001   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848    1.0728   -0.2294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2223   -0.7547    0.0176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3505   -1.5843    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9362   -3.0096    0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0206    0.2721    0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1970   -1.3431    1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7885   -0.2859    1.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056   -1.1568   -1.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370   -2.2547    0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919    3.3029   -0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0102    3.2951    0.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768    4.5078   -0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0802    2.9632   -1.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9655   -1.2583    1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0074   -1.5831   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1626   -3.6697   -0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3945   -3.4511    1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423   -3.0368    0.5683 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