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
    3.5862   -1.9827    0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0910   -0.5921    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325   -0.4212    0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    0.8345    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258    1.7570    0.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518    1.0828   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7991    2.2601    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480    3.4660    0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418   -0.0471   -0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412   -1.2068   -0.6757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3626    0.1250   -0.8549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1820   -0.9376   -1.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486   -2.0505   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6996   -1.9648    0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2991   -2.4423   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2679   -2.6477    1.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6605    0.0677   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593   -0.2406    1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8386    2.3852   -0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831    4.3621    0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2821    3.4025    1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8077    3.6223   -0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8098   -1.3469   -2.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2045   -0.5550   -1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4096   -2.7659   -0.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2058   -2.5781   -0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2539   -1.5860    0.7422 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