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
-3.1820 0.2900 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7902 0.8265 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8232 -0.2138 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1808 -1.3157 -0.3461 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5347 0.0494 0.2689 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4555 -0.9469 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8527 -0.5299 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1475 0.6432 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1613 -0.7834 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9652 0.8670 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3021 0.2493 -0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 1.0883 1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6653 1.7346 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2285 -1.9375 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2843 -1.0462 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6298 -1.2204 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1945 0.9307 0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3671 1.3150 0.8409 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