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
    1.7915   -1.6094   -0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7989   -0.2275    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857    0.6066   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272    1.9758    0.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272    2.4635    1.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2262    2.6891   -0.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7628    1.8250   -1.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3468    2.0621   -2.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353    0.4483   -0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310    0.1604    0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3697   -1.1099    1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879   -1.7547   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8812   -2.3701    0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032   -1.8090   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6953    0.0771    0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5097   -0.3019   -1.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5942    0.0444   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7193    1.0432    0.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3568   -1.9501    0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338   -1.0247    1.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2128   -1.2381    1.7619 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