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
    3.0469    0.4946   -0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0444   -0.3515   -0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037   -0.0988    0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -1.3294    1.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4771   -1.5866    2.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3224   -2.1398    0.1148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -1.3626   -0.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993   -1.7416   -1.9804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2782    0.0159   -0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919    0.9866   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2108    0.6288    0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0305    0.3430   -0.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9147    1.3823    0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2433   -1.2175   -0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935    0.7857    1.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2550    0.3924   -1.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9545    2.0034   -0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0614    0.9838   -1.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1522    0.0963    0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6479    0.1155    1.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5543    1.5992    1.1763 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