Monomers

3-Ethyl-4-ethylideneoxolane-2,5-dione

Identifiers

IUPAC name
3-ethyl-4-ethylideneoxolane-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3,6H,4H2,1-2H3
InchI Key
JPQAIRCYDQEYKM-UHFFFAOYSA-N
SMILES
CC=C1C(=O)OC(=O)C1CC
Canonical SMILES
CCC1C(=CC)C(=O)OC1=O
Isomeric SMILES
CCC1C(=CC)C(=O)OC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H10O3
Heavy Atom Count
11
Molecular Weight
154.165
Exact Molecular Weight
154.063
Valence Electrons
60
Radical Electrons
0
tPSA
43.37
MolLogP
1.0423
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.1986   -1.2899    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1539    0.1602    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0024    0.7851    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7088    2.1876   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5256    2.9878   -0.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5702    2.4754    0.2859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187    1.3328    0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173    1.2366    1.6210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171    0.1871    0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9870   -0.3406   -0.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3303   -0.9221   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418   -1.7948    0.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   -1.4389    1.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9840   -1.7629   -0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069    0.6311   -0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2786   -0.6516    1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1668    0.5233   -1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -1.0936   -1.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4702   -0.8823    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4057   -1.9963   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1513   -0.3339   -0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers