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
    3.4566    1.3785    0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9738   -0.0206    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774   -0.0275    0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9049   -1.3892   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5873   -1.2983    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -1.9064    0.9265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170   -0.5580   -0.8944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203   -0.4625   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2398    0.0767    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9555    1.1847    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9531    1.8362    1.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5647    1.3635    0.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847    2.0552   -0.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3958   -0.7431    0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3339   -0.3001   -0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727    0.3480    1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780    0.6513   -0.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075   -2.1668    0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2271   -1.7026   -1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135   -1.4370   -1.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9943    0.2374   -1.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371   -0.4335    1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1698    1.7130   -0.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3488    1.6012    1.3881 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