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
    2.9652   -0.3302    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1558   -0.4396   -0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7504   -0.4041   -0.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    0.7109    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749    1.6307    0.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    0.8073    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0071   -0.2025    0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4599   -0.1246    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4086   -1.3422    0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7683    0.4355    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118   -0.0472    1.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955   -1.3776   -1.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    0.3925   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5794    1.6970    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6519   -1.0969   -0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615   -0.5971    1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0488   -0.6442   -0.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7413    0.9322    0.5049 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