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
    2.5844    1.2525   -0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    0.2628   -0.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244   -0.2189    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7887    0.1343    1.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5353    0.9534    2.1281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1702   -0.6158    2.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8597   -1.4402    1.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696   -2.2858    1.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3688   -1.1978   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086   -0.6363   -0.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    0.6093   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3362    1.1316   -1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1322    1.0231    0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1866    2.2888   -0.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3507   -0.0903   -1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0567   -2.1416   -0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883   -0.3399   -1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2732   -1.4128   -0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    1.5181   -0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2389    0.4614    0.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.7440   -0.6585 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