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
   -3.4275   -0.0422    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6024   -0.6923   -0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2550   -0.2719   -0.8739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537   -0.5074    0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -1.1842    1.1758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786   -0.1742    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0194    0.1035    0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219    0.4205    1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0318    1.0891    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6707   -0.7799    0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4187    0.2829   -0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9256    0.8743    0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6840   -1.7838   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9293   -0.3492   -1.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9358    0.6861   -0.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8515   -0.5986    2.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9062    0.2483    1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517    1.2976   -0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400    1.3813    0.1545 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