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
   -2.5753    1.0720    0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777   -0.0547   -0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1957   -0.8443   -0.5407 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0892   -0.4368   -0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566    0.7746   -0.5379 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1055   -1.3936    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528   -1.0495    0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8137    0.3503    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170    0.7778    1.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6711    1.2488    0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088    2.0412   -0.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1953    0.3268   -1.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1877   -0.7226   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050   -2.4189    0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0824   -1.7940    0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2803    1.0206    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6433    0.6641   -0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8999    0.4385    0.3012 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