Monomers

CID 86152285

Identifiers

IUPAC name
3-ethenyl-4-ethyloxolane-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3,5-6H,1,4H2,2H3
InchI Key
OYYSZCVRQVKKMC-UHFFFAOYSA-N
SMILES
C=CC1C(=O)OC(=O)C1CC
Canonical SMILES
CCC1C(C(=O)OC1=O)C=C
Isomeric SMILES
CCC1C(C(=O)OC1=O)C=C
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
0.8982
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
   -1.4081    1.2369   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6929    0.3604    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8606   -0.7017    0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3741   -1.9832   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1268   -2.7718    0.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7821   -1.9241   -1.2927 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610   -1.0656   -1.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9114   -0.7425   -2.3306 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566   -0.8031    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5496    0.1000    0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4565    1.5594    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1683    2.0065   -1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5043    1.3375   -1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7120    0.4330    0.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9023   -0.8552    1.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8476   -1.8810    0.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5719   -0.1814    0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7295   -0.1261    1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    1.9871   -0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6030    2.0368    1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    1.9783    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  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
  2 14  1  0
  3 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