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
    3.0465   -0.3611   -1.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -1.3852   -0.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9668   -0.8205   -0.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1068   -0.1538   -1.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3869   -0.0667   -2.2777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1255    0.4513   -0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4860    0.4010    0.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7302    1.0169    1.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1139    0.9836    2.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0584   -0.8229   -1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7264   -0.1434   -2.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783    0.5804   -0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8166   -2.1175   -1.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6788   -1.8881    0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7731    0.9574   -1.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801   -0.0924    1.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    1.5277    0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021    0.4909    3.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0288    1.4423    2.6715 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