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
    3.1367    0.0167    0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136    0.5580    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8349   -0.1267   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8620   -1.5217   -0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -2.3986   -0.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970   -1.7774   -1.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9057   -0.5971   -1.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7461   -0.3035   -2.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5292    0.3408   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4856    0.2054    0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8399    0.6968    0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1311   -1.0475    1.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7706    0.1495   -0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    0.5711    1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6426    1.6084    0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5040    1.3926   -0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5899   -0.8992    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1008    0.6747    1.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2820    1.3625    1.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5630   -0.1364    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    1.2318   -0.6822 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