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
   -2.4008   -1.2418    0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561    0.1846    0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    0.7162    0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4664    2.0884    0.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8893    2.9040    1.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    2.3809   -0.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070    1.2688   -1.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    1.2380   -2.2997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2047    0.1078   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3145   -0.3106    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107   -0.9159   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -1.9174    1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4976   -1.3509    0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9661   -1.5169   -0.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8085    0.7407    1.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980   -0.7373   -0.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476    0.5789    1.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9682   -1.0113    1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9471   -1.5282   -1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0851   -0.1251   -0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663   -1.5529    0.4064 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