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
3.1293 -0.2276 0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1271 -0.6758 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9136 0.2115 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9618 1.4488 -0.5037 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 -0.3735 -0.4241 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4644 0.4943 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7661 -0.1743 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4762 0.0855 0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6193 0.1106 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7559 -1.1079 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7590 0.6153 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5283 -0.5100 -1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8234 -1.7155 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5613 1.1646 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2769 1.1661 0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1637 -0.8794 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1163 0.7637 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4280 -0.3964 1.0406 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