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
   -3.3561    0.5246   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8515   -0.5716    0.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5121   -0.4387    1.0659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4707   -0.3833    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -0.4590   -1.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303   -0.2437    0.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8970   -0.1938   -0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706   -0.0565    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2723   -0.0028   -0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9241    1.5266    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4536    0.6247   -0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2563    0.3151   -1.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -0.6322    1.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081   -1.5436    0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1763   -0.1810    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6719   -0.2552   -1.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801    0.0034    1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020    0.0994   -0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0961   -0.0603   -1.8010 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