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
    2.8887   -0.0913    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6808   -0.6210    0.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -0.2513   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968    0.8849   -1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7492    0.6937   -2.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4277    2.0545   -0.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2511    1.7944    0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412    2.5715    1.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6037    0.3382    0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8855    0.1322   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819   -1.3533   -0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1045    0.6436   -0.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7079   -0.3605    1.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -1.3507    1.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2721   -1.0820   -0.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7243   -0.0325    1.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7947    0.5890   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484    0.5885    0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5275   -1.8816    0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5992   -1.6490   -1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1618   -1.6173   -0.4675 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