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
   -3.0879   -0.3212   -0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    0.8475    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1543    1.1849   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2606    0.0339    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7832   -1.0145    0.6654 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1011    0.0946   -0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894   -1.0255    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125   -0.8218   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748    0.3210   -0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711   -0.8033   -1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4812   -1.0807    0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9428   -0.0388   -1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391    0.5960    1.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2296    1.7262    0.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751    2.0487    0.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0187    1.4615   -1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.9337   -0.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807   -1.2916    1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -1.6171    0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0766    1.1307   -0.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    0.5032   -0.7150 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