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
   -2.2518   -0.7282    0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6582   -0.1096   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6941    0.1847   -1.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6052    1.1263   -1.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3876    0.7416   -0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085   -0.3987    0.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608    1.7292    0.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    1.3560    1.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1261    0.3058    0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1923   -0.8609    1.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2453   -1.0160    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7713   -0.0593    1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7325   -1.6907    0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1829    0.8582   -0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4989   -0.7397   -1.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2818    0.6912   -2.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081   -0.7388   -2.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025    1.4123   -2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1064    2.0997   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7885    2.2551    1.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.9875    2.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7136    0.5315   -0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535   -1.6172    0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955   -1.0442    2.0597 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