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
    2.3024   -1.6073    0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8797   -1.2077    0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5213    0.0107    0.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0793    0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636    0.9390    1.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    2.2886    0.7517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5025    2.0454    0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2949    2.8062   -0.3187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050    0.6459    0.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8666    0.0141   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6159   -0.0119   -1.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4848   -2.5046   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -0.8034   -0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928   -1.8748    1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535   -1.9740    0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1341    0.6639    1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009   -1.0279    0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8271    0.5344    0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984    0.8644   -1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.0918   -2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1712   -0.9722   -1.9353 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