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
    3.0850   -0.6462    0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808   -0.8545    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541    0.0675    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266    1.4232    0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5597    1.8293    1.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    2.1703   -0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693    1.3458   -1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2563    1.6933   -2.1908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4644   -0.0454   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692   -0.3021    0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809   -0.4049   -0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048   -1.0586    1.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8786   -1.1227    0.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2974    0.4592    0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6618   -1.8480   -0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4758   -0.7802   -1.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6828    0.5643    1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3745   -1.1861    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9926   -1.4669   -0.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8673    0.3001   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7063   -0.1375    0.2868 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