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
    2.2893    0.9993    0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0013   -0.4505    0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810   -0.9490    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -2.4069    0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3203   -3.2384    1.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7265   -2.6344   -0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2523   -1.4357   -0.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1131   -1.2400   -1.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5605   -0.3856    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    0.9380   -0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2093    1.2739   -0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9434    1.5810    1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4015    1.1934    0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9287    1.4398   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835   -1.1030    0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0776   -0.3718    1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3940    0.9582   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2542    1.7339    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3739    2.3632   -0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6995    1.0133   -1.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6970    0.7213    0.4356 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