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
    2.8585    0.6621   -0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813   -0.6382    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8873   -0.4887    0.4633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -0.1486   -0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7456    0.0059   -1.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3193    0.0240   -0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075   -0.1458    0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3932    0.0422    0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9492    0.5991   -1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409    0.8812    0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174    1.4748    0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7800   -0.9868    1.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132   -1.4254   -0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309    0.2855   -1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3492   -0.4049    1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8154   -0.2491   -0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8424   -0.6118    1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5608    1.1244    0.8239 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