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
    3.0335    0.5310    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350   -0.7096    0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521   -0.5136    0.3035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460   -0.0701   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7938    0.1713   -1.8391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    0.1262   -0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0496   -0.1032    0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5066    0.1098    0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    1.1535    0.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6049    1.1683   -0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0664    0.1991   -0.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760   -1.4898   -0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -1.0954    1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7816    0.4765   -1.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5805   -0.4512    1.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9525   -0.2516   -0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7720    1.2013    0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0493   -0.4523    1.0058 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