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
    3.1488    1.0072   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637   -0.4071    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688   -0.2605    0.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3477   -1.3779    0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9296   -2.4924    0.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1132   -1.2682    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895   -0.0812    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260    0.0563   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6799    1.2406   -0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    1.1287    0.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3838    1.7727    0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    1.2389   -1.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9492   -0.9224    0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9615   -0.9324   -0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6984   -2.1735    0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0848    0.8110   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7435   -0.8201    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0536    2.1309   -0.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7651    1.3495   -0.0605 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