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
    3.0651    0.2927    0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600    0.8324   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8351    0.0285   -0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0760   -1.3877   -0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7232   -2.1824   -1.1456 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609   -1.6753    0.7479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902   -0.5426    1.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615   -0.2476    2.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3908    0.3380    0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736   -0.0228   -0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138    0.3318    0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2261   -0.7895    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622    0.9084    0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8593    1.9065   -0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688    0.2137   -1.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3467    1.3994    0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7049   -1.1299   -0.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453    0.4420   -1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5407    0.9230   -0.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3062   -0.5677    0.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628    0.9291    1.1562 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