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
   -3.8978    0.0701    0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6872   -0.7525    0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605    0.0961    0.3187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3185   -0.3937    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2108   -1.5830   -0.3587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762    0.4578    0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0642    0.0124   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365    0.8470   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636    0.4113   -0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2287    0.6231   -0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7100   -0.6094    0.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5758    0.7639    1.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124   -1.6578    0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8369   -1.0906   -0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7558    1.4795    0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864   -1.0053   -0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1168    1.8679    0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6217   -0.5954   -0.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3176    1.0585   -0.2055 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