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
   -4.6227   -0.3533    1.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2441   -0.9208    1.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3132   -0.0361    0.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9718   -0.3757    0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6455   -1.5085    0.6842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0046    0.5214   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3649    1.7210   -0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659    2.6570   -1.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3703    0.0548   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2513    0.7786   -0.9990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393   -1.1865   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0816   -1.6793   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.7502    0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2005   -0.7233    1.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6456    0.7552    1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1777   -0.6845    0.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9372   -1.1427    2.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2545   -1.8401    0.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4015    1.9987   -0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530    3.6028   -1.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    2.2062   -2.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.9356   -0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999   -1.7366   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -2.6713    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978   -0.2365    1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536   -1.3568    1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4939   -0.0290   -0.0498 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