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
   -0.7537    2.6222    0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1817    1.6430    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    0.3575    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837   -0.3105    1.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9186    0.1634    1.7682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907   -1.5026    1.8659 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509   -1.6032    1.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0643   -2.2508    1.6198 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929   -0.7603    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444   -1.5943   -0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1854   -0.8087   -2.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6149    2.7498    0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0567    2.3203    1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2007    3.5789    1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9175    2.0732   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9739   -0.4297   -0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696   -1.9760   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338   -2.4980   -1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163   -0.8606   -3.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387    0.2498   -1.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2113   -1.1635   -2.4707 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