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
    2.4851   -1.7485   -0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6386   -0.8452   -0.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545    0.1280    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5197   -0.0245    1.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147    0.0297    1.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3911   -0.2375    2.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7218    0.2593    1.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535    0.7875    2.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4258    0.0300    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470    0.9668   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6328    0.7469   -0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995   -1.8470    0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.4625   -1.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187   -0.7451   -1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    1.1844   -0.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -1.0000   -0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8195    0.6668   -1.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430    2.0153   -0.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8603   -0.0374    0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0889    0.4377   -1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0756    1.6952   -0.2106 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