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
    3.0614    1.0344    0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810    0.9470    0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8635   -0.0570    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840   -1.2843   -0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9879   -1.4767   -1.2652 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1289   -2.2234   -0.0316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6949   -1.6614    0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4555   -2.2245    1.7555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334   -0.1901    0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305    0.2872   -0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.1222    0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8133    0.8662    0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2399    2.0894   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955    0.3977   -0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3342    1.8026    1.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6896    0.3117    1.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840   -0.3132   -1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    1.3347   -0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8844   -0.4412    1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897   -0.4473   -0.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3932    1.1260    0.4813 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