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
    2.7801   -1.1686   -0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -1.0353   -0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6956    0.0942   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2477    1.3689   -1.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2771    1.5796   -1.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3889    2.3667   -0.5186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6478    1.7911    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609    2.3701    1.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7343    0.3918   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2539   -0.4468    0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6870   -0.1242    1.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950   -2.2322   -0.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3948   -0.7476    0.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684   -0.6110   -1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200   -1.9054   -0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084    0.2812   -1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544   -1.5241    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6212   -0.2626    1.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737   -1.0528    1.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7729    0.5106    2.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1998    0.3563    0.2717 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