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
   -3.2186   -0.1709    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759    0.3066    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8017    0.1242   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851   -0.5538   -1.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7539   -1.2313   -2.0367 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4470   -0.2999   -2.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395    0.4898   -1.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3104    1.0977   -1.6348 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5914    0.5206   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3399   -0.4709    0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    0.0976    0.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9761    0.1669    0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4828    0.1784   -0.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825   -1.2923   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599    0.8148    1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280    1.5356    0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405   -1.4516    0.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8856   -0.6025    1.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148   -0.2217    0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741    1.1944    0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1067   -0.2316    1.9804 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