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
   -3.9218    0.4409   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7391   -0.4438    0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5270    0.2259   -0.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3120   -0.3723    0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3064   -1.5397    0.5235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9118    0.3131   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1113   -0.2410   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828    0.4996   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4725   -0.0307   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5551    0.5802    0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5471    1.4698   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5497    0.0657   -0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6789   -0.5931    1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147   -1.4302   -0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131    1.3124   -0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1999   -1.2334    0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853    1.4853   -1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6218   -1.0269   -0.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3533    0.5184   -0.7509 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