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
    3.4218    0.7860    0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440   -0.0088   -0.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6638   -0.5816   -0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5876    0.4727   -0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7064   -0.2427   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0525   -0.7610    1.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5325   -0.3552   -1.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673   -1.0024   -1.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7677   -0.3380   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103    0.7519    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5294    1.8451    0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7355    0.6220    1.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474    0.4755    1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517    0.5954   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7492   -0.8605   -0.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5876   -1.2678    0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774   -1.1179   -1.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7506    1.1286    0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6512    1.1163   -1.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1503   -0.9284   -2.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6824   -2.0987   -0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7609   -0.7639   -0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5744    1.2963    0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2926    1.2369    0.9757 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