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
    2.4553    0.8727    1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9638    0.4982   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    0.0128   -0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850   -1.4310   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8233   -1.8559   -1.8380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890   -2.1269    0.5303 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1799   -1.2854    1.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1663   -1.5213    2.7550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.0234    0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -0.2069    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1903    0.8942   -0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4770    1.2200    1.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8737    0.8552    1.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6086    0.5392   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0845    0.5403   -1.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1207    0.8656    1.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8065   -1.1978    0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582   -0.2189    1.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3051    0.9116   -0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555    1.8768    0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9201    0.7809   -1.4580 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