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
2.7479 0.7317 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9217 0.1015 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8448 -0.7619 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0848 -1.9285 0.1413 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4493 -0.3262 -0.1809 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5407 -1.0438 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7464 -0.1793 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6824 1.0635 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3746 1.7653 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6825 0.1195 1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7927 0.7919 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5883 -0.5604 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5358 0.9052 -1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7482 -1.9428 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4339 -1.3419 1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6915 -0.5422 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5513 1.6964 -0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7294 1.4519 -0.6248 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