Monomers

Ethyl Penta-2,4-dienoate

Identifiers

IUPAC name
ethyl penta-2,4-dienoate
InchI
InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,5-6H,1,4H2,2H3
InchI Key
MOJNQUDSDVIYEO-UHFFFAOYSA-N
SMILES
CCOC(=O)C=CC=C
Canonical SMILES
CCOC(=O)C=CC=C
Isomeric SMILES
CCOC(=O)C=CC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O2
Heavy Atom Count
9
Molecular Weight
126.155
Exact Molecular Weight
126.0681
Valence Electrons
50
Radical Electrons
0
tPSA
26.3
MolLogP
1.2917
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -3.2452    0.2828   -0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871    0.7110    0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    0.3763    0.4557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5671   -0.9155    0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4135   -1.8453    0.2931 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -1.1503    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046   -0.1480    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1262   -0.3694   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736    0.6389   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2862   -0.8002   -0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8337    0.7978   -1.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2769    0.6931   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4406    1.8294    0.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7924    0.3682    1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1745   -2.1755   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3394    0.8617    0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -1.3725   -0.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0273    0.5501   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    1.6673    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers