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
    2.9794    0.2773   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784   -0.2064    0.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407    0.2034    0.9614 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265   -0.1825    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922   -0.9442   -0.8570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2203    0.3146    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2071   -0.0438   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5650    0.4637   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1314    0.5698   -1.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -0.5122   -1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    1.1710   -0.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603    0.3126    1.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5904   -1.3107    0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    0.9560    1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252   -0.6982   -1.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1108    0.5831   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4946    1.4033    0.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0560   -0.2844    0.5064 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