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
    3.0015   -0.3635   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    0.7168    0.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692    0.6557    0.3762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332   -0.4784    0.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7779   -1.4288    1.2209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3006   -0.5700    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0115    0.4106    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4748    0.2579   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   -0.4762   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0018   -1.3282    0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706   -0.0746   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6172    1.7188    0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    0.5692    1.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005   -1.4780    0.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5401    1.3350   -0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8687   -0.4868    0.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0361    1.1919    0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7368   -0.1714   -1.1721 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