Monomers

Allyl valerate

Identifiers

IUPAC name
prop-2-enyl pentanoate
InchI
InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3
InchI Key
PWYXVVREDGESBB-UHFFFAOYSA-N
SMILES
CCCCC(=O)OCC=C
Canonical SMILES
CCCCC(=O)OCC=C
Isomeric SMILES
CCCCC(=O)OCC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9058
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

 24 23  0  0  0  0  0  0  0  0999 V2000
   -3.4424   -0.3727   -1.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335    0.4496    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457    0.5685    0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686   -0.7733    0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892   -0.5930    0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861   -1.5606    0.7049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1257    0.6603    0.5304 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002    0.9505    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3229    0.3480   -0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2928   -0.4956   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4991   -1.4571   -0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4278   -0.0305   -1.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7480   -0.2410   -1.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4533    0.0166    1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4466    1.4702    0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425    1.1590    1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1095    1.0965   -0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2943   -1.3125    1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0628   -1.3778   -0.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504    2.0614    0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8263    0.5733    1.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438    0.5898   -1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5352   -0.7891    0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014   -0.9407   -0.8871 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  8 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers