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
    2.1381    0.5361    1.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965    0.4722    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7086   -0.5561   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2339   -1.3127   -1.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309   -1.3939   -1.8651 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0959   -1.8886   -2.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972   -1.0636   -1.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1284   -1.2169   -2.3288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5726   -0.0175   -0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6605    0.1212    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429    1.0263    1.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801   -0.1631    2.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8627    1.2729    1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0270    1.1488   -0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4907   -1.2797    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340    0.9657   -1.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5629    0.5055   -0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315   -0.9103    0.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2288    1.6355    1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037    1.7188    1.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1018    0.3993    2.2475 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