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
   -3.3362    0.1806   -0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2094   -0.4031    0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737   -0.8904    0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8947    0.3418    0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5307   -0.0096    0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973   -1.1833    1.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4838    0.9739    0.6728 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771    0.7573    0.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3677   -0.2289   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2948    0.1065   -1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3997    0.0078   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1120    1.2606   -0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7128   -0.3586   -1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4627    0.3662    1.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8824   -1.2669    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6531   -1.3185    1.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5090   -1.6139   -0.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0988    0.7413   -0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489    1.1181    1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    1.7433    0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992    0.4081    1.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170   -1.2351   -0.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6568   -0.5952   -1.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7078    1.0980   -0.9934 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