Monomers

Ethyl crotonate

Identifiers

IUPAC name
ethyl (E)-but-2-enoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
InchI Key
ZFDIRQKJPRINOQ-HWKANZROSA-N
SMILES
CCOC(=O)/C=C/C
Canonical SMILES
CCOC(=O)C=CC
Isomeric SMILES
CCOC(=O)/C=C/C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
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

 18 17  0  0  0  0  0  0  0  0999 V2000
    2.8905    0.0834    0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2214   -0.9324   -0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8046   -0.7522   -0.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447    0.4621   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0309    1.3528   -0.9792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1876    0.6936   -0.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0170   -0.2413   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4709    0.0278    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1377    0.7137    1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105   -0.3860    1.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    0.7572   -0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4985   -0.7624   -1.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5060   -1.9687   -0.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5670    1.6576   -0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6801   -1.2190    0.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9007    0.0206   -0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5663    1.0901    0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0023   -0.5970    0.7378 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
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers