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
    2.4947   -0.0129    0.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067    0.8585   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5640    0.4502   -0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938    1.2166   -1.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567    2.4624   -1.7889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2436    0.3747   -2.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0346   -0.9056   -1.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284   -1.9872   -2.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1072   -0.8679   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9192   -0.7946    0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549    0.3003    0.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487   -1.0591    0.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3901    0.4119    1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5881    0.0228    0.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    1.8465   -0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935   -1.7090   -0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762   -0.5644    1.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4607   -1.7537    0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4449    1.2905    0.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5692    0.3301    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5614    0.0898   -0.2391 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