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
   -2.8907    0.7954   -0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4148    0.8306   -0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517    0.0593    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928   -0.8469    1.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978   -0.7655    1.6543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5254   -1.7845    1.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731   -1.5246    0.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209   -2.3336    0.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -0.0824    0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4499    0.2362   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026    0.0632   -0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2199    1.2197   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1843   -0.2822   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3350    1.3925    0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783    1.4799   -1.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8557    0.5331    1.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3113    1.3249   -0.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374   -0.4030   -1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0518    0.3922    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5688    0.6817   -0.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040   -0.9859   -0.3469 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