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
    2.1930   -1.3291   -0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0699    0.1488   -0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9774    0.7041   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339    2.1162    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1308    3.0384   -0.5988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3075    2.1949    1.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5659    0.9298    1.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102    0.5781    2.7744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991   -0.0096    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2371   -0.0251   -0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008   -0.7139   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754   -1.7609    0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2638   -1.5969   -0.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611   -1.7292   -1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8645    0.7609   -0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -1.0209    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669    1.0189   -0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7785   -0.5915   -1.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -1.8113   -0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3154   -0.3322   -0.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7640   -0.5695    0.9354 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