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
   -3.1483   -0.2915    0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7220   -0.5130   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7888    0.5506    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5882    0.1879   -0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203   -0.8432   -0.7618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676    0.9911    0.2409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9334    0.6531   -0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521   -0.1031    0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4817    0.7452    0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -0.7933    1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7762   -0.8543   -0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109   -0.5640   -1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -1.4767    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0754    1.5209   -0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7994    0.6033    1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2606    1.0288   -1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.4991    1.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305   -0.3425    0.1487 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