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
   -3.6776    0.3721    0.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3444   -0.3239    0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3762    0.1790   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352   -0.4062   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210   -1.2582    0.7633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9262    0.0093   -1.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2431   -0.4431   -1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209   -0.1256    0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9961    0.6467    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5159    1.4363    0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8778    0.3425   -0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4910   -0.1019    1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405   -1.4075    0.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9905   -0.0954    1.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731    1.2796   -0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702   -0.0825   -1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440   -1.5138   -1.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7724    0.1244   -1.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114   -0.5424    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309    0.8318    1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4263    1.0789   -0.5788 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