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
   -2.0932    1.8561   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8065    0.5661   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819    0.0002    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2288   -1.1103    1.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9888   -1.0085    2.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7692   -2.3180    0.7646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0294   -2.1240   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3709   -2.9777   -1.2192 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2550   -0.6726   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021   -0.4443   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    0.9949   -0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9132    2.2465   -0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5187    2.5935    0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4162   -0.1080   -0.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475    0.7463    1.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0346   -0.3805   -1.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0004   -0.9554    0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2906   -0.9486   -1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6564    1.5247   -1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9536    1.5019    0.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230    1.0177   -0.3695 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