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
   -4.7383   -0.2549   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3908   -0.9239   -0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465    0.0266   -0.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320   -0.3594   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7531   -1.5680   -0.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646    0.5805   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2188    1.8536   -0.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8319    2.8896   -0.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573    0.0967   -0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049    0.9032   -0.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665   -1.2272   -0.3338 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882   -1.7349   -0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8991   -1.1183    0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8432    0.3101   -1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8892    0.4238    0.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5094   -1.0422   -0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3076   -1.3827    0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3676   -1.7190   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2623    2.1487   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3742    3.9101   -1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4104    2.6466   -1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4477    2.9242   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5659   -1.6455   -1.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -2.8278   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150   -1.7328    0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359   -0.0901    0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813   -1.0872    1.7282 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