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
   -3.3174    0.2802    0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9064   -0.8911   -0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352   -1.2307   -0.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4964   -0.3830   -0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005    0.7738   -0.6784 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652   -0.8031    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8889    0.0217   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2576   -0.3919    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2232    0.4837   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1748   -0.0273    1.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4701    0.5752    1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5474    1.1211   -0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0916   -0.7462   -1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4808   -1.8233   -0.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0850   -1.7893    0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    1.0148   -0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4762   -1.3980    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2356    0.1524    0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973    1.4627   -0.4932 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