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
    2.2468   -1.5678    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -0.4694   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8199    0.3931    0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244    1.8143    0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    2.1034    0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114    2.6346    0.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9327    1.8624   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240    2.2558    0.0291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341    0.5541   -0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4157   -0.5489   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9476   -0.8348    0.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -1.9325    1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9802   -2.1729   -0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881   -0.1753   -1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860    0.0470    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1654    0.6846   -1.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9406   -1.4731   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2598   -0.3291   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2585   -0.6543    1.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2551   -1.9197    0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9038   -0.2717    1.0081 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