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
   -3.4843    0.2058    0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3623   -0.2568   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1508    0.0588    0.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629   -0.2459   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1003   -0.8003   -1.3813 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    0.1250    0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160   -0.1541   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6560    0.2035    0.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2829    0.6151   -0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8448   -0.6012    1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564    1.0620    1.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3840    0.2380   -1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4049   -1.3557   -0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.6047    1.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5301   -0.6352   -1.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8641    1.2808    0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.0996    1.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4896   -0.4442    0.3506 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