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
    1.9083    1.2759    0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377   -0.1561    0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155   -0.8395    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7115   -2.2826    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351   -2.9905   -0.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6048   -2.6798   -0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4567   -1.6382    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7211   -1.6192   -0.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525   -0.5397    0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048    0.8032    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2323    1.1043   -1.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9796    1.6083    0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824    1.3696    1.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3354    1.9004   -0.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -0.6125   -0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8077   -0.6297    1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    0.7846    0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    1.5906    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2273    0.8124   -1.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4427    0.5370   -1.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1367    2.2017   -1.2230 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