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
    3.8070    0.3189   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4502    0.1772   -0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    0.1364    0.3459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141    0.0074    0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2061   -0.0666   -1.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7721   -0.0244    1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620   -0.1371    1.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375   -0.2504   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1711   -0.3618    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986   -0.6707    0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276    0.9514    0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4644    0.8803   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547   -0.8190   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1988    1.0159   -1.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3224    0.0526    2.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6067   -0.1461    2.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4168   -0.2524   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6148   -0.3621    0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7990   -0.4494   -0.8612 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