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
   -2.5722    1.2435   -0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1802    1.0304   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878   -0.1180    0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315   -1.3232    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7922   -1.4019    0.3335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6331   -2.4030    0.2992 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6768   -1.9453    0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6923   -2.6011   -0.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6131   -0.5324    0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7979    0.2409    0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1152    0.3635   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1994    1.3082    0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6506    2.1470   -1.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8451    0.3302   -1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5129    1.8766   -0.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5823   -0.5862    1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6895    1.2820    0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823   -0.1770    0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677    0.3938   -1.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6926    1.3162   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7952   -0.4443   -1.4756 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