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
    2.8906   -0.2199    1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240   -0.0216    1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8607    0.1838   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5361    0.2471   -1.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779    0.5209   -1.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6019   -0.0356   -2.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.2733   -1.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077   -0.9354   -2.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627    0.4047   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5165   -0.1900    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9227    0.1089    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3574    0.7924    1.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1535   -0.7412    2.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888   -0.8034    0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564   -0.0549    2.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818    1.4721   -0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987    0.2838    1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4071   -1.2712    0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4996   -0.8262   -0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4973    0.7020    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9323    0.6571   -0.8422 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