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
   -2.4716   -0.0714    1.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0498   -0.3497    1.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233   -0.4563   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4684   -0.3192   -1.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292   -0.4407   -1.4257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6001   -0.0409   -2.4546 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7157    0.0087   -2.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.5655   -2.5786 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300   -0.7256   -0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8288   -0.2810    0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140    1.1833    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070    0.8962    0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6304   -0.0622    2.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673   -0.8773    0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430   -0.4685    1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692   -1.8091   -0.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874   -0.5811   -0.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.8558    1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8815    1.5153    0.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3524    1.4188    1.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696    1.7511   -0.3382 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