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
    2.6270   -0.8788   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4884   -0.7140    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595    0.6104    0.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5437    1.5478   -0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3618    2.4536    0.0172 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491    1.1697   -1.5266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824    0.5610   -1.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858    0.0574   -2.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333    0.6077    0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.5921    0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913   -0.5058   -0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1082   -1.8307   -0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1175   -0.0072   -0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0363   -1.5927    0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8529    0.9917    1.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0175    1.5640    0.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4219   -0.5609    1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8147   -1.4990    0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9912    0.5749   -0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6998   -0.9179   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4732   -1.0391    0.4456 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