Monomers

3-Ethyl-4-ethylideneoxolane-2,5-dione

Identifiers

IUPAC name
3-ethyl-4-ethylideneoxolane-2,5-dione
InchI
InChI=1S/C8H10O3/c1-3-5-6(4-2)8(10)11-7(5)9/h3,6H,4H2,1-2H3
InchI Key
JPQAIRCYDQEYKM-UHFFFAOYSA-N
SMILES
CC=C1C(=O)OC(=O)C1CC
Canonical SMILES
CCC1C(=CC)C(=O)OC1=O
Isomeric SMILES
CCC1C(=CC)C(=O)OC1=O
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
1.0423
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
    2.5375    0.3465   -1.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1947    0.6784   -0.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899    0.0235    0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3467   -1.0709    1.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5927   -1.2919    1.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3302   -1.7795    1.8350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9035   -1.1975    1.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9770   -1.8327    1.6751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6212    0.1791    1.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6719    0.7998    0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    0.0323   -0.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6089   -0.7793   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3609    0.7106   -0.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746    0.6507   -2.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6601    1.4782   -1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4238    0.7718    2.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6071    0.8357    0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602    1.8432    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1066   -0.3677   -1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4806    0.7349   -1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614   -0.7650   -0.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  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
  1 14  1  0
  2 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