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
   -3.2697    0.2484   -0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677   -1.1265   -0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -1.2867   -0.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4560   -0.4420   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710    0.4371    0.7477 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9562   -0.5199   -0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8061    0.3121    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    0.2732   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0168    1.1408    0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0856    0.9346    0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3462    0.2314   -0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514    0.5986   -1.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9061   -1.2143    0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4078   -1.8950   -0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324   -1.2562   -1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547    1.0896    0.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499   -0.4784   -0.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0935    1.0839    0.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6202    1.8692    1.2700 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