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
    1.9601    1.3551   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3143    0.8381    0.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8468   -0.5297    0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233   -1.3828   -0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183   -1.3857   -1.6317 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242   -2.3798   -0.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7925   -2.1134    0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4505   -2.9044    1.2664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803   -0.6085    0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4223   -0.0620   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009    1.3598   -0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2344    0.8506   -1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2871    2.4151   -0.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1070    1.4747    1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2876   -1.0949    1.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -0.2623    1.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1895   -0.6775   -1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170   -0.2015   -0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6390    1.4886   -1.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2040    1.8222   -1.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082    1.9982   -0.0252 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