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
   -3.1189    0.3117   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6613    0.6118    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7649   -0.3118    0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0216   -1.7085    0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1339   -2.1760    1.0819 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -2.4147    0.4392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440   -1.5440   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001   -1.8352   -0.6760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7099   -0.1922    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2600    0.8917   -0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627    0.9230   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362    0.9840   -0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5834    0.3379    0.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2193   -0.7386   -0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3855    1.6306   -0.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0117   -0.0360    1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7911    1.8664   -0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0823    0.5417   -1.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1147    0.0641    0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2824    0.9623   -1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001    1.8320    0.2975 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