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
    2.8153    0.9122   -0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940    1.0520   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9890   -0.0869    0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707   -1.4104    0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798   -1.7295    0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5427   -2.2990   -0.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -1.6622    0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7046   -2.2112    0.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030   -0.2567   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136    0.6394    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7429    0.3603   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271   -0.0128   -0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3240    1.8066   -1.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2669    2.0484    0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    0.0528    1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3424   -0.1028   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4714    0.3343    1.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1887    1.7116    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347   -0.6195   -0.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5113    0.2894    0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0249    1.1840   -0.7817 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