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
    2.6935   -1.8138    0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -0.4161   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1749   -0.1019   -0.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7599    1.1304   -0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6287    1.9462   -1.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562    1.4340   -0.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5533    0.5521   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9798    0.8338   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8893   -0.0174    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7449   -2.0491    0.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978   -1.8676    1.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3774   -2.5680   -0.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0336   -0.3282   -1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1020    0.2745    0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.3911   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2530   -0.4199    0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2864    1.8009   -0.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6145   -1.0007    0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9380    0.2196    0.0506 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