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
   -3.1252   -0.8691   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4462   -0.0907    0.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566    0.0381    0.4523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5945    0.6586   -0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453    1.1347   -1.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8332    0.7503   -0.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6758    0.2315   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182    0.2987   -0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9072   -0.2316    0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9402   -1.4488    0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3805   -1.4911   -0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5509   -0.1209   -1.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4915   -0.6180    1.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9403    0.8771    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338    1.2456   -1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661   -0.2569    0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4693    0.7946   -1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4968   -0.7050    1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9707   -0.1972    0.5311 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