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
    2.5603    1.1435    0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3108    1.0483   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6531   -0.2487   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5341   -1.3979   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044   -1.5969   -0.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9705   -2.1888    0.8651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -1.9275    0.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067   -2.7347    1.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5406   -0.5140    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8449   -0.2665   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746    1.1793   -0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1557    0.2486    0.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784    2.1101    0.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7306    1.9642   -0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2824   -0.1707   -1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5156    0.0706    1.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7201   -0.5008    0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8654   -0.9078   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6411    1.8745    0.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1523    1.3902   -1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9260    1.4250   -0.9863 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