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
    3.7330    0.3245    0.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245   -0.4553    0.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    0.4207    0.1762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140    0.0552   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -1.1172    0.3059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8513    1.0050   -0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964    0.7126   -0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7752   -0.5403   -0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0819   -0.6291   -0.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9869    0.5974    1.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738   -0.2634    0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6692    1.2843    0.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819   -0.8528    1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976   -1.3309    0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4898    2.0059   -0.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203    1.5350   -1.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3336   -1.4247   -0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6293    0.2186   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6156   -1.5454   -0.5919 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