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
    2.5253    0.5489    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6084   -0.4223    0.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062   -0.2748    0.4147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0088   -0.4760   -0.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111   -0.8071   -1.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097   -0.3394   -1.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3388    0.0027   -0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2303    0.2643    0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9780    1.1200   -0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    0.0636   -0.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8855    1.3262    0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327   -0.1263    2.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790   -1.4490    0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283   -0.5187   -2.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3402    0.1059   -1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5056    1.1069    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409   -0.6568    1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243    0.5319    1.1033 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