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
   -3.2281    0.0826    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5011    0.4326   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1020    0.2736   -0.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170   -0.9373   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2643   -1.9209    0.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371   -1.0094    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048    0.0434   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -0.0736    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9330    0.9599   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2217    0.5768    0.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503    0.4396    1.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4144   -1.0070    0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864    1.5063   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153   -0.1604   -1.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   -1.9530    0.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    1.0122   -0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689   -1.0225    0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4968    1.9116   -0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9900    0.8455   -0.0178 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