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
    3.3052    0.7060   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5143   -0.5738   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1504   -0.2954   -0.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2383   -1.3446    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -2.5047    0.2341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891   -1.1185    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7041    0.1192    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1319    0.3266    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207    1.5265    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900    1.2288   -1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3617    0.4740   -0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1997    1.2748    0.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271   -1.2112   -0.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8863   -1.1432    0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8424   -1.9676    0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0606    0.9722   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7778   -0.5217    0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9809    2.3713   -0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6804    1.6814    0.1017 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