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
    2.9309   -0.9812    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -0.8092   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8478    0.2153    0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892    1.2640    1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5999    1.6063    1.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3009    1.8374    1.9425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797    1.2170    1.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643    1.1865    2.2022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5860    0.6054    0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4522   -0.5877   -0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -0.1047   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -0.6582    1.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1868   -2.0737    0.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -0.3770   -0.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912   -1.5234   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6424    1.4012   -0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0832   -1.0482   -0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835   -1.2678    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0831   -0.0614   -1.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5803   -0.7894    0.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9937    0.9486    0.1170 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