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
    2.9946   -2.9231    0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2065   -1.4535   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9697   -0.8046   -0.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7773    0.5459   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8272    1.2145   -0.5024 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4821    1.1961   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3536    2.4830   -0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    3.2147   -0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870    0.4066    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5522   -0.8499    0.4209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9616    0.8861    0.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0240    0.0582    0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -1.0539   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496   -3.2251    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9066   -3.1427    0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3199   -3.5486   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571   -1.0581    0.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6779   -1.3567   -1.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    3.0518   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7775    4.3021   -0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6205    2.7565   -0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3885    3.0972    0.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822    0.6412    0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8671   -0.4020    1.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2918   -1.4677   -0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5669   -1.8774   -0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3493   -0.6906   -1.3578 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