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
   -3.3939   -0.4159   -0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0030   -0.2358   -0.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -0.2283    0.3119 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -0.0801    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    0.0519   -0.9968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1856   -0.0696    1.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    0.0724    1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1064    0.2350   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0296    0.4663   -0.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4361   -0.5051    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9150   -1.3000   -0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7346   -1.0711   -1.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359    0.7005   -1.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221   -0.1821    2.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1156    0.0720    2.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2210    0.3007   -0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257   -0.6664   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7318    1.1725   -0.6679 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