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
    2.2414   -1.3529   -0.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262   -0.4930   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040    0.6690   -0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620    1.8910   -0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6239    2.2993   -0.2622 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704    2.3758    0.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6482    1.5675    0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530    1.6355    1.6444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.6724   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0091   -0.7271   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4557   -0.8746    0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669   -2.1979   -0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -1.2063   -1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6650   -0.6588    0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0958    0.7527   -1.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157    1.1162   -1.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8057   -1.3122   -1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4130   -1.2062    0.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159   -0.7306   -0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7797   -0.2731    1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145   -1.9468    0.5249 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