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
   -2.6743    0.9204   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1766    0.8122   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971   -0.3514    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484   -1.6375    0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5438   -1.8382    0.4152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4762   -2.6039   -0.3424 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7657   -2.0660   -0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6429   -2.5451   -1.3825 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8047   -0.7874    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316    0.0674   -0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9301    1.4522    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0064    1.8645   -0.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9791    0.1138   -0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0806    0.7816    0.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6622    1.7503   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751   -1.1064    1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6622    0.0777   -1.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231   -0.4560   -0.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0269    1.7084    0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    1.6013    1.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5488    2.2424   -0.6250 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