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
   -3.0348    0.7764   -0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1089    0.0028    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8962   -0.3193   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6456   -1.8048   -0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2137   -2.5883   -1.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2562   -2.0734    0.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5131   -0.8886    1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541   -0.7637    2.4384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2915    0.1951    0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4999    0.3277   -0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6354    0.8458    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9033    1.1610   -1.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9203    1.0123    0.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2120   -0.3978    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260    0.0599   -1.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    1.1736    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704    1.0548   -1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7471   -0.6448   -1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8353    0.1153    1.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186    0.9597   -0.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3321    1.7964    0.6291 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