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
   -2.1278    0.7410    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3427   -0.5111   -0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5814   -1.6671    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -1.4323    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906   -2.3511    0.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202   -0.3102   -0.3034 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9175   -0.1790   -0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232    1.1586   -0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9502    2.0139    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482    1.6181   -0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    0.5545    0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055    0.9205    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9405   -0.3136   -1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322   -0.6991   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7719   -2.5562   -0.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795   -1.8643    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3549   -0.9747   -0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230   -0.3078    0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    1.3920   -1.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2531    2.9804   -0.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1778    1.7875    1.0533 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