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
   -2.9990    0.6538   -0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5161    0.7112   -0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8109   -0.0198    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2861   -0.9916    1.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4481   -0.9679    1.8881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2144   -1.8369    1.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8908   -1.4774    0.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8886   -2.1841    0.5876 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694   -0.0567    0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3489    0.2984   -0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    0.2572   -0.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272    0.8014    0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3352   -0.3693   -0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4434    1.4636   -1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0206    1.3750   -1.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0296    0.5949    1.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0097    1.3373   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459   -0.3655   -1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3025   -0.5079   -1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1431    0.0627    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261    1.2216   -0.9008 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