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
    2.7452    0.7358   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3748    0.4196   -0.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5720   -0.4077   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9218   -1.0962    1.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8997   -0.8445    1.9617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261   -2.1017    1.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031   -2.1090    0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6964   -3.0582    0.2209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923   -0.8488   -0.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511    0.0931    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396    1.4733   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197    1.5282    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    1.1484   -1.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2606   -0.1755    0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533    0.9135   -1.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9899   -0.9874   -1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8323   -0.3361   -0.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8121    0.1580    1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382    2.1896    0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7694    1.8748   -0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809    1.4308   -1.4023 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