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
   -2.0891    1.5868   -0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444    0.3169   -0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841   -0.2979    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2716   -1.5397    0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4739   -1.6607    1.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2488   -2.4490    0.9272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733   -2.1814   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5121   -3.0215   -0.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4814   -0.7908   -0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527   -0.0282   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5922    1.4527   -0.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955    2.1731    0.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498    2.0720   -0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617   -0.2346   -1.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3869    0.3851    1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2544   -0.7401   -1.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423   -0.3930   -0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0199   -0.1503    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    1.9429   -0.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8062    1.8872    0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    1.6704   -1.5656 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