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
   -3.0316    0.0513    0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5873    0.3986    0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6749   -0.4572    0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8735   -1.8093   -0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9746   -2.3837   -0.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683   -2.3619   -0.4874 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3863   -1.4910   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6260   -1.6708   -0.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7937   -0.2364    0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584    0.9347   -0.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448    1.2316   -0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448    0.1110   -0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6233    0.7498    1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2154   -0.9688    1.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032    1.3813    1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0989   -0.0153    1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943    1.8284   -0.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263    0.7391   -1.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9845    0.9451    0.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9893    0.7048   -1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6579    2.3189   -0.9045 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