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
    3.0727    0.4057   -0.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6420    0.2616   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273   -0.2619   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199   -0.7523    1.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3671   -0.6150    1.8459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100   -1.3900    1.8305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742   -1.3570    0.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0809   -1.9683    1.1050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -0.4527   -0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4127    0.8265   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8736    0.4469   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2584    1.2765    0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330   -0.4937   -0.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944    0.6104   -1.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343    0.5905   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8821   -0.9757   -1.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199    1.2330    1.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0866    1.6058   -0.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2253    0.0513    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9087   -0.3433   -1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4823    1.3017   -0.5430 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