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
    3.2983   -1.5030    0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4587   -1.3072   -0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809   -0.7888   -0.4423 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658    0.4566    0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510    1.0272    0.4652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2372    1.0108    0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3289    2.1695    1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8680    2.9805    1.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592    0.2918    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5996    0.7477    0.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220   -0.9402   -0.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6123   -1.6033   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5112   -0.8008   -1.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6008   -2.5818    0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6974   -1.1687    1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2510   -0.9182    0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -2.2739   -1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009   -0.6482   -1.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3182    2.5520    1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5188    2.4230    2.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4076    3.2262    0.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211    3.9040    2.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3593   -2.5540   -1.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2222   -1.8694    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2948   -0.2804   -1.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282   -0.0856   -2.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0422   -1.4661   -2.3662 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