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
    2.4518   -1.3550    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969   -0.7701   -0.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6337    0.2167   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9140    0.8550    1.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.3329    2.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3215    2.1132    1.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090    2.3162   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6211    3.4021   -0.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5638    0.9575   -0.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    0.4202    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839   -1.0613   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400   -1.7763    1.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416   -2.1917   -0.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921   -0.6359    0.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9567   -1.1315   -1.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6442    0.9256   -1.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937    0.5916    1.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6869    0.9944   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9889   -1.5484   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6062   -1.4298    0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5364   -1.2253   -1.1058 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