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
-3.3529 0.2868 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9792 0.7403 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9241 -0.2415 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1822 -1.3080 0.3188 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3929 0.0780 -0.5264 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.7777 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7525 -0.1510 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7016 0.1545 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4800 -0.7872 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7583 0.7682 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0420 0.6611 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7997 1.7297 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8106 0.9284 -1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3533 -1.7786 -0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5293 -0.9356 0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9000 0.0557 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6123 -0.0304 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6240 0.6072 -0.0820 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