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
   -2.5233   -0.8726    1.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3475   -1.2372    0.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6363   -0.3211    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362    0.9862    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2484    1.3523   -0.7643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7894    1.7786    1.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.1727    1.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330    1.4950    2.6081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138    0.0985    0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6240    0.6156   -0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921   -0.3987   -1.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1175   -1.4854    2.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9743    0.1030    1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910   -2.2170    1.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5135   -0.7473   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2183   -0.7380    1.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954    0.8632   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425    1.5448   -0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8774   -1.4124   -1.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1070   -0.2877   -2.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197   -0.2928   -1.9871 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