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
-3.0026 0.2364 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0754 -0.8203 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7125 -0.5859 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2304 -1.4109 -1.0128 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0410 0.5017 0.1290 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3242 0.8128 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3385 -0.1888 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4067 0.1314 0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8970 0.3983 0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4139 1.1984 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1953 0.0657 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4076 -1.8170 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0531 -0.7119 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5956 1.8009 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3434 0.9689 -1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2266 -1.1986 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5234 1.1718 1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1885 -0.5529 0.9816 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