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
    2.5847   -1.1959    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400   -0.8291   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    0.2526   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    1.2944    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.1164    1.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    2.4415    0.4859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4672    2.1798   -0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9220    3.0260   -1.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6184    0.7075   -0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8383    0.3304    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9851   -1.1533    0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096   -1.7202   -0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850   -1.9466    1.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -0.3583    0.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9726   -1.5050   -1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.3541   -1.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8575    0.8965    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214    0.6921   -0.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148   -1.6508    0.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6510   -1.5724   -0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524   -1.3597    1.2191 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