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
   -3.4996    0.2079   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3392   -0.6786   -0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1575    0.0080   -0.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0891   -0.5242   -0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1482   -1.6627   -1.0931 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2623    0.2757   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4936   -0.1619   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6283    0.7131   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4258    0.3468    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4111    1.2039   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4543   -0.2404   -0.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3841   -1.5757    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -0.9237   -1.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    1.2474    0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986   -1.1248   -0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    0.8109    1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    1.7541   -0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5912    0.3239   -0.4349 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