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
   -3.9889    0.0600   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6859   -0.2701   -0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937    0.0184    0.1417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080   -0.2189   -0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418   -0.6779   -1.4602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726    0.0395    0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981   -0.1906    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    0.0673    0.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4829   -0.1709    0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7992    0.0064   -0.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069    1.0470    0.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1755   -0.7662    0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6158    0.3151   -1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6461   -1.3555   -0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128    0.4352    1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2451   -0.5847   -0.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    0.4577    1.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670    0.0168    1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6722   -0.5686   -0.5693 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