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
   -3.5837   -0.6203    1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4743    0.6455    0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240    0.9972    0.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612    0.1906   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5610   -0.9148   -0.4979 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2341    0.5421   -0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.6965    0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2353    2.6856    0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1454   -0.3860   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7329   -1.5013   -1.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.1401   -0.9893 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4094   -0.9977   -1.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5649   -2.3314   -0.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7181   -0.6913    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6185   -1.4739    0.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5434   -0.5420    2.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9461    0.4609   -0.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0195    1.4779    1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7053    1.9340    0.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302    3.0357    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6531    2.2089    1.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3640    3.5706    1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3954   -0.5257   -1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0737   -1.1771   -2.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5968   -2.7753   -0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3002   -2.3426   -0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998   -3.0259   -1.7264 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