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
   -2.6569   -1.2179    0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4786   -0.7915   -0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212    0.2262   -0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8518    1.0965    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6946    0.9767    1.6336 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1282    2.1089    0.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8861    1.9565   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7916    2.7048   -0.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4567    0.7137   -1.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6154   -0.2645   -1.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537   -0.4894    0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2050   -0.3387    0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -1.7656    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241   -1.8225   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543   -1.3601   -1.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148    0.9226   -2.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667    0.2247   -1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -1.2045   -1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0964   -0.1452    0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766    0.0499    0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9642   -1.5806    0.5224 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