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
    2.8358   -0.7134    0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3251    0.7071    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9257    0.6632    0.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1844   -0.1603   -0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7358   -0.8379   -1.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717   -0.2771   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9383    0.4017    0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4095    0.2489    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -0.6338    0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114   -1.2593   -0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1703   -1.3035    0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8228    1.4281    0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4929    0.9600   -1.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8288   -0.9248   -1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4339    1.0581    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6930   -0.4400    1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -0.1671   -0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414    1.2501    0.7805 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