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
   -3.2285    0.4060    0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591   -0.8612   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6424   -0.6777   -0.7386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870   -0.3677   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5914   -0.2645    1.2152 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711   -0.1767   -0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660    0.1173   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214    0.3079   -0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2085    0.6007   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7025    1.3015    0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3206    0.5137    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040    0.3044    1.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7255   -1.7216    0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6769   -1.0630   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7911   -0.2806   -1.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8036    0.2114    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1361    0.2042   -1.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1308    0.7386   -0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094    0.7076    0.9720 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