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
    2.6503   -0.4212    1.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408   -0.7274    1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981   -0.3147   -0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480   -1.4472   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745   -2.6179   -1.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501   -0.9939   -1.8713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    0.3915   -1.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551    1.2414   -2.4947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0939    0.6112   -0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2312    0.1192    0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    1.0596    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3847    0.1153    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434   -0.7051    2.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050   -1.2631    1.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493    0.2097   -0.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1666    1.6607   -0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -0.9007    0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910   -0.0042    1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1901    1.8190   -0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3622    0.5235    0.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601    1.6444    1.4720 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