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
   -3.0229    0.1091   -1.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241    0.4825   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580   -0.3747    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656   -0.6200    1.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1585   -1.6282    2.2154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0725    0.4809    2.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178    1.2424    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8329    2.4312    0.9973 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3537    0.3546   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4333   -0.7184   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7683   -0.0727   -0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8734    0.7346   -1.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9663   -0.8180   -1.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    1.4062    0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352   -1.2998   -0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    0.8765   -1.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2718   -1.5035   -0.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312   -1.2298    0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900    0.3402   -1.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0278    0.6885    0.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -0.8817   -0.5060 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