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
    2.1481   -1.1838    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609    0.1907   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9357    0.7706   -0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8702    2.1961   -0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.7437   -1.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4076    2.6388   -0.5504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1209    1.6313    0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734    1.6696    0.8886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4746    0.3762   -0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8880   -0.8219    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4063   -0.9841    0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2166   -1.3654    0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -1.3981    1.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097   -1.9575   -0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172    0.7669   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933    0.3209   -1.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3823   -1.7551   -0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7749   -0.7352    1.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -0.5331   -0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345   -0.4825    0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6059   -2.0881    0.0531 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