Monomers

Vinyl butyrate

Identifiers

IUPAC name
ethenyl butanoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
InchI Key
MEGHWIAOTJPCHQ-UHFFFAOYSA-N
SMILES
CCCC(=O)OC=C
Canonical SMILES
CCCC(=O)OC=C
Isomeric SMILES
CCCC(=O)OC=C
Resources

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
1.4732
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
   -2.3045   -0.6414    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8631    0.8065    0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514    0.9487   -0.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209    0.1279   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358   -0.5417    0.9225 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378    0.0293   -0.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002   -0.7813   -0.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4773   -0.2750    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103   -0.7105    1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7996   -1.1324    1.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644   -1.2176   -0.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7988    1.3707    0.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626    1.1695    1.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5140    2.0261   -0.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2976    0.7616   -1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5532   -1.8183   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427    0.7848    0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987   -0.9069    0.4243 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  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers