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
-3.2094 -0.0399 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0079 -0.1898 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 -0.1226 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4568 -0.8072 1.0346 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2560 0.7425 -0.4279 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4974 0.8792 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3071 -0.3699 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5165 -0.4151 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9045 -0.1624 1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9801 -0.7774 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5902 1.0230 0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0646 0.5755 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0589 -1.1998 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0855 1.6376 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4573 1.3191 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9203 -1.2520 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0857 -1.3291 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8606 0.4882 -0.8590 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