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
    4.3822    0.0205    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598    0.5263    0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364   -0.1507   -0.0211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    0.0780    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4742    0.9292    1.1852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913   -0.5859   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1959   -1.4638   -1.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1738   -1.8143   -1.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7821   -0.2783   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7237   -0.8594   -0.6212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019    0.6287    0.9492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4283    0.9428    1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1886    1.4988    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2115    0.2581    0.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5011    0.5297   -0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2504   -1.0487   -0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838    1.6181    0.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9981    0.1713    1.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359   -1.9337   -1.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7921   -2.2569   -0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563   -0.9588   -2.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286   -2.6098   -2.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9734    0.0607    1.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    1.7039    2.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6711    0.7109   -0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220    2.0854   -0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9997    2.1978    0.4642 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