Monomers

Allyl propionate

Identifiers

IUPAC name
prop-2-enyl propanoate
InchI
InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
InchI Key
XRFWKHVQMACVTA-UHFFFAOYSA-N
SMILES
CCC(=O)OCC=C
Canonical SMILES
CCC(=O)OCC=C
Isomeric SMILES
CCC(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
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

 18 17  0  0  0  0  0  0  0  0999 V2000
   -3.0570   -0.1383    0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9485    0.8517    0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    0.1874   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4252    0.0307   -1.4076 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920   -0.2735    0.7469 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -0.9034    0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2570   -0.0392   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750    0.2435   -0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9151   -0.4197    1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0806   -0.9757   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0242    0.4333    0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374    1.4560   -0.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7960    1.5275    1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1681   -1.8053   -0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9661   -1.2436    1.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8996    0.3660   -1.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147   -0.1753    0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1304    0.8778   -0.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers