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
    2.5017    1.1236    0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906    0.9511   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8413   -0.3796   -0.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547   -0.5242   -1.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6962    0.2518   -2.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2422   -1.7312   -1.8786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6526   -2.1023   -0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1784   -3.2035   -0.3091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397   -0.9476    0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5594   -0.1245    0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4494    1.1374    1.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    0.3035    0.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8397    2.1111    0.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6756    1.8292   -0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697   -1.1424   -0.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0192   -1.3493    1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9855    0.1436   -0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -0.7600    0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740    1.1816    1.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5173    1.1726    1.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5864    2.0591    0.5755 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