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
   -2.5151    1.0294   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8767   -0.2835   -0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6995   -0.6157   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0506   -1.8542   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1482   -2.6722   -1.1764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -1.9522    0.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8434   -0.8454    1.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335   -0.7373    2.8564 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1663    0.2035    0.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1869    0.9292    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063    0.0518   -0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980    1.3487    0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1419    1.8007   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6200    0.9335   -0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4286   -0.9586   -1.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416    0.8816    1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870    1.6585   -0.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7763    1.5899    0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6484   -0.6839   -0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9259    0.6703   -1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5758   -0.4942   -1.5544 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