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
3.0521 0.2429 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0738 -0.5983 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7078 -0.5682 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1537 -1.5521 0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0908 0.5890 -0.1212 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4023 0.6577 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 -0.2527 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3843 0.2858 -0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5755 0.3918 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0174 -0.2491 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0896 1.2430 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4272 -1.6678 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1564 -0.3280 -1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4470 0.4068 1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7363 1.6907 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2319 -1.3275 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5316 1.3557 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1091 -0.3195 -1.4310 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