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
    3.1383   -0.0306   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456    0.6841   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392   -0.0250    0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770   -1.4666    0.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7263   -2.1498    1.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.0434   -0.4796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929   -1.2138   -0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -1.6108   -1.6340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3291    0.1286   -0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5644    0.6479    0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830    0.7647   -0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0380    0.4405   -0.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1698   -1.0845   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0204    1.7624   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6575    0.3840    1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0722    0.8758   -1.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280    1.6289    0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9234   -0.0528    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4492    1.5143   -0.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2905    1.0334   -1.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2382   -0.1872   -0.8246 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