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
   -2.2336   -0.8389   -0.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6714    0.5480   -0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628    0.8091    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0191    2.1040    0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1815    3.1419   -0.5135 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584    2.0350    1.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8365    0.7689    1.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059    0.4976    2.9184 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0482   -0.0999    0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9092   -1.1033    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9697   -0.4793   -0.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3523   -0.7901   -1.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452   -1.3698   -1.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134   -1.3974    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893    1.3320   -1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -0.6583    1.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4201   -1.7147    0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3111   -1.7859   -0.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558   -0.2209   -1.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    0.4342   -0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045   -1.2122   -0.7370 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