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
   -3.9367    0.3057    0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7342   -0.1446   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5198    0.2625    0.3611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366   -0.1240   -0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4007   -0.7917   -1.3591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9682    0.2309    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.1347   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3976    0.1861    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4664   -0.2027   -0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7763    0.4615    1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7320   -0.4598    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3722    1.2571    0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6923   -1.2587   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7343    0.2977   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549    0.8046    1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565   -0.7084   -1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945    0.7546    0.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3976   -0.7777   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4496    0.0419   -0.2363 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