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
    2.6246    1.3416    0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950    0.5897   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0265   -0.5152    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3113   -1.7641   -0.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124   -2.1550   -1.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1164   -2.4471   -0.7344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9286   -1.6847   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0520   -2.0351    0.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4364   -0.2858   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1258    0.5887    0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5638    0.7762    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6177    1.1709    1.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    2.1259    0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9083    0.7646   -1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0779   -0.6903    1.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241    0.0789   -1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265    1.5730    0.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1335    0.0351    1.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8096    0.0699   -0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553    1.7959   -0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642    0.6668    1.2250 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