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
   -2.2962    1.0947    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    0.4507   -0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8279    0.1183   -0.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4704   -0.5165   -2.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2989   -1.1228   -2.8778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9019   -0.3114   -2.3550 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231    0.4142   -1.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180    1.0669   -1.2599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4640    0.2983   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8202   -0.9423    0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1218   -0.7023    1.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6045    0.6584    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1111    2.1852    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3196    0.8403    1.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8877    0.2536   -1.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426    1.1887    0.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005   -1.1137    1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253   -1.8171   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8233   -0.0578    0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6165   -1.7108    1.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980   -0.2744    2.3166 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