Monomers

Methyl crotonate

Identifiers

IUPAC name
methyl (E)-but-2-enoate
InchI
InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
InchI Key
MCVVUJPXSBQTRZ-ONEGZZNKSA-N
SMILES
C/C=C/C(=O)OC
Canonical SMILES
CC=CC(=O)OC
Isomeric SMILES
C/C=C/C(=O)OC
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.7355
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

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.8642   -0.2236   -0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3887   -0.3058   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6104    0.7286   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8444    0.6518   -0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5216    1.6827   -0.0371 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5076   -0.5314   -0.6001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243   -0.5130   -0.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2565   -1.0550    0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3275   -0.2691   -1.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1974    0.7476   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9216   -1.2426   -0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0949    1.6604    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3618   -1.4332   -0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2545    0.3729   -1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2472   -0.2702    0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers