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
   -2.3277   -1.4899    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152   -0.9974   -0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230    0.2665   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5477    1.2772    0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150    1.2092    0.5832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953    2.2863    0.8853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    1.9583    0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6594    2.4093    1.1100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5161    1.0221   -0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940    0.1204   -0.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -0.6561    0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4684   -2.5787   -0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4676   -1.3667    1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1162   -0.8892   -0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593   -1.7001   -0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822    1.5858   -1.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4237   -0.6177   -1.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248    0.7130   -1.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655   -0.5005    0.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390   -0.2880    1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540   -1.7639    0.3188 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