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
   -3.0511   -0.3573    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6518    0.1035    0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8045   -0.0778   -0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121   -0.7302   -1.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2632   -0.8675   -1.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1044   -1.1727   -1.8886 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -0.8425   -1.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785   -1.3793   -0.9423 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247    0.2855   -0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3281    0.4075    1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7676    0.7797    0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5410    0.3108    0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5884   -0.3642    1.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1288   -1.3921    0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    0.5906    1.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    1.2278   -0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176   -0.4539    1.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8772    1.2826    1.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931    1.4403    1.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4213   -0.1070    0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8178    1.3163   -0.1414 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