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
-3.3329 -0.1499 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9833 -0.3981 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9069 0.1638 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 0.7488 1.2316 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4199 0.0754 -0.1368 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4632 0.6058 0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7460 0.2756 -0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6748 -0.4720 0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0913 0.0830 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6574 -1.0998 0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3319 0.6828 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8704 0.0385 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7628 -1.4959 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3666 1.7157 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5079 0.1039 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9085 0.6581 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5111 -0.8522 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5755 -0.6834 -0.0300 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