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
    3.0243    0.4377   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546    0.6286   -0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7575   -0.4006   -0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1643   -1.7973   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -2.2530   -0.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0776   -2.4270    0.5078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898   -1.5306    0.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9343   -1.7514    1.4398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275   -0.4386   -0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203    0.8783    0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7995    0.9105    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759   -0.0330    0.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653    1.3666   -0.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2971   -0.2662   -1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    1.6159   -0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710   -0.7066   -1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9216    1.1331    1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9682    1.6768   -0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3234    0.3475   -0.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1201    1.9833    0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1185    0.6260    1.1848 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