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
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
2.6805 -0.0431 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1320 0.6567 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7486 0.2409 1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1844 0.7570 2.0168 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0339 -0.6708 0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2901 -1.0146 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2004 0.1479 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2455 0.1480 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8575 0.0036 -1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5657 0.5179 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0118 -1.0617 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1351 1.7552 0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 0.4652 1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3340 -1.4334 1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6926 -1.7804 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0271 1.0097 1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9253 0.9852 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4637 -0.6834 -0.8433 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