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
   -1.4606   -1.2875   -1.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9886   -0.0774   -1.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866    0.3964    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6034    1.6954    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101    2.1069   -0.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308    2.2269    1.4381 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489    1.5634    1.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8427    1.5732    2.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4943    0.7685    0.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3916   -0.3876    0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5832   -1.2309   -0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5261   -1.6165   -2.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7786   -1.9433   -0.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6755    0.5698   -2.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569   -0.3106    0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    1.4652   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612   -0.0243    1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9897   -1.0543    1.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3719   -0.7179   -1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6682   -1.5371   -0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0057   -2.1783   -0.3581 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