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
    3.0330   -0.3535    0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5976   -0.7323    0.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8380   -0.2205   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862    0.7183   -1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1926    1.4835   -1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    0.5910   -2.1426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315   -0.3630   -1.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349   -1.0137   -2.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6231   -0.4912   -0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562    0.6440    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9026    0.3145    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4146   -0.4255   -0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636    0.7061    1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255   -1.0307    1.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058   -1.4104    1.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -1.4723    0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315    0.8029    1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2094    1.5548   -0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0951    0.3811   -1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    1.0351    0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0718   -0.7182    0.4078 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