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
   -3.0009    0.6040   -0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    0.4324   -0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8305   -0.2299   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4134   -0.8740    1.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6285   -1.2087    1.2311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3694   -1.0160    2.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097   -0.5151    1.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8425   -0.1370    2.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040   -0.5171    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744    0.4924   -0.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091    0.0481   -0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4973   -0.3952   -0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4071    1.1323   -1.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2147    1.1284    0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    0.8707   -1.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8878   -1.5136   -0.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510    1.5180   -0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408    0.4903   -1.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321    0.3520   -1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594    0.4171    0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9133   -1.0791   -0.4479 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