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
3.0684 -0.5443 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0674 0.5581 0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7322 0.1878 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6143 -0.9624 -0.6331 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3534 1.0171 -0.1267 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6302 0.6888 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 -0.4784 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3812 -0.3624 0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0517 -0.1137 -0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7969 -1.2720 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2380 -1.0394 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9958 0.8581 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4147 1.4267 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6123 0.4768 -1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2684 1.5857 -0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7447 -1.4285 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8613 -1.1885 1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8922 0.5906 0.6988 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