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
   -3.7893    0.1914    0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -0.2152    0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5156    0.4161   -0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1318    0.0803   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1825   -0.7534    0.7865 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7980    0.6783   -1.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640    0.4631   -1.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606   -0.4521   -0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0846   -0.5916   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103   -0.4971    1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8842    1.2549    0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1032    0.0416   -0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009    0.1093    1.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2140   -1.3189    0.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3647    1.3966   -1.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    1.0064   -1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -1.0415    0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832   -0.0252   -1.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5966   -1.2707    0.3187 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