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
   -3.0331   -0.2542    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5426   -0.5149   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452    0.8097    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6321    0.6513    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164    1.6839    0.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768   -0.5282   -0.0754 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6163   -0.7786   -0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991    0.0839    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2581    0.8257    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5695   -0.7824   -0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862   -0.7379    0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145   -0.9120   -1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2173   -1.2841    0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1387    1.4655   -0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894    1.2095    1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9044   -1.8284   -0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5003    1.1382    0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6491   -0.2469   -0.0690 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