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

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
    3.0765    0.1900   -0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2096    0.0432    0.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8592    0.0238    0.1746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1303   -0.1047    1.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2291   -0.1993    2.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5444   -0.1284    0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675   -0.0283   -0.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3211   -0.0574   -0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1938    1.2463   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0933   -0.2284   -0.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713   -0.3722   -1.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3919    0.8927    1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4978   -0.8997    1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769   -0.2324    1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1315    0.0709   -1.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5093    0.8073   -1.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4835   -1.0377   -1.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9579    0.0142    0.0320 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