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
   -2.0644   -1.5801   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7576   -0.3040   -0.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8150    0.2947    0.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3429    1.5308    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5570    1.7658    1.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    2.3213    1.2778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073    1.7715    0.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0545    2.0847    1.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4208    0.8681   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787   -0.1928   -0.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9140   -1.0393    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7590   -2.0204   -1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545   -2.2330    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2113    0.2698   -1.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866   -0.4234    1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385    1.3993   -1.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8312   -0.8656   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837    0.2735   -1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290   -0.4974    1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -1.6797    0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6518   -1.7439   -0.1189 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