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
    2.6383    0.6192    0.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5519    0.6126   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.3487   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089   -1.5718    0.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3371   -1.9695    1.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4635   -2.3426    0.1545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075   -1.6982   -0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0987   -2.1379   -1.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4171   -0.4120   -1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693    0.7535   -1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0116    0.8274    0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0339    1.6265    1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2538    0.1477    1.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4442   -0.0636    0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5039    1.4960   -0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044   -0.4633   -2.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8009    1.6924   -1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1718    0.6013   -1.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913    0.8653    1.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7181    0.0021    0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6036    1.7636    0.3843 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