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
   -3.1778   -0.3462   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4129   -1.0562    0.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0211   -0.7197    0.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6622    0.6139    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5678    1.4671    0.8962 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281    1.0534    0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7195    0.1695    0.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951    0.6190    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0605   -0.2539    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4786   -0.1566   -1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5348    0.6615   -0.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0679   -0.9231   -0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5455   -2.1519    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8442   -0.6956    1.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760    2.0987    0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5133   -0.8836    0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116    1.6720    0.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161   -1.2868    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0926    0.1185    0.1827 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