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
    2.5963    0.9177    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946    0.5172    0.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339   -0.4634    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3192   -1.2514   -0.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608   -1.4013   -1.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022   -1.7942   -1.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9475   -1.4141   -1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0535   -1.3962   -1.8808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202   -1.0251    0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7515   -0.0516    0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8797    1.1677   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210    0.8994   -0.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8023    1.9599    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    0.1878    0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885    1.0139    1.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7271   -1.8948    0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7062   -0.6193    0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4538    0.2177    1.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9356    1.1938   -0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7287    2.0726    0.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2348    1.1637   -1.0814 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