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
    3.0989   -0.4806   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8284   -0.7798    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8303    0.0930    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248    1.3648   -0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937    1.6551   -1.5540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760    2.1492   -0.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7842    1.4354    1.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297    1.8492    2.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270    0.0057    0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4639   -0.4112   -0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8904   -0.5371    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -0.6753   -1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8702   -1.1832   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4484    0.5451   -0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6541   -1.6755    0.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5741   -0.6392    1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122    0.3436   -1.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624   -1.3781   -0.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713   -1.1931   -0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3366    0.4845    0.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690   -0.9725    1.1101 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