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
   -2.2514   -0.1665   -1.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398    0.9231   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6335    0.6781    0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    1.6562    1.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243    2.9091    1.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9364    1.0066    2.1648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080   -0.3564    1.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4892   -1.2139    2.6232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813   -0.5968    0.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874   -1.0635   -0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9378   -0.0850   -0.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535   -0.2039   -2.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094   -1.1268   -0.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3525   -0.0215   -1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0398    1.9334   -0.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6434   -1.3876    0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971   -2.0079   -0.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1983   -1.2955   -1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092    0.3027   -0.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6534   -0.6263   -1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116    0.7425   -1.4807 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