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
   -3.8695    0.1290    0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8190   -0.2432   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5623    0.0337    0.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3636   -0.1804   -0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4407   -0.6394   -1.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121    0.1107    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0710   -0.0695   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3128    0.2405    0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4905    0.0615   -0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4764   -0.3064    1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8531    1.2325    0.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8649   -0.2401    0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243    0.4980   -1.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -1.2786   -0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8883    0.5096    1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224   -0.4582   -1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858    0.6312    1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6068   -0.3269   -1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4110    0.2963    0.2785 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