Monomers

Allyl butyrate

Identifiers

IUPAC name
prop-2-enyl butanoate
InchI
InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
InchI Key
RMZIOVJHUJAAEY-UHFFFAOYSA-N
SMILES
CCCC(=O)OCC=C
Canonical SMILES
CCCC(=O)OCC=C
Isomeric SMILES
CCCC(=O)OCC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -1.9291    1.0021    0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5807   -0.3244    0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9193   -0.7896   -0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4834   -1.0142   -0.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0696   -2.2219   -0.7782 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -0.0641   -0.5845 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8789   -0.4249   -0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    0.7522   -0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4928    0.8554    0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956    1.4810   -0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6741    1.6700    1.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585    0.7828    1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6412   -0.1004    0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -1.0741    1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4374   -1.7130   -1.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2040   -0.0021   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683   -1.1662    0.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212   -0.9517   -1.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7669    1.5233   -1.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1520    1.6996    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4922    0.0801    1.6008 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  1  0
  8  9  2  3
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  7 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers