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
   -2.5061    1.3808    0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2933    0.6262    0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571   -0.2202    0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153   -0.6375   -1.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5846    0.0534   -2.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3277   -1.8774   -1.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865   -2.2572   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5811   -3.4509   -0.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5442   -1.0111    0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.4148   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.9788    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1978    2.4387    0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2619    1.3466    1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9781    0.9549   -0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860    0.8513    1.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516   -1.1829    1.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6788   -0.5089   -1.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6369   -1.0969    0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5506    1.5246   -0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7466    0.9435    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1585    1.5589    0.4802 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