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
-3.2640 -0.2644 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9413 0.3001 -1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9221 -0.0691 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.7598 1.0418 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4076 0.3148 -0.0927 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3659 -0.0473 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6694 0.5205 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7215 -0.2239 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5358 -1.1366 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0779 0.4992 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2349 -0.5675 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0394 1.4055 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.0865 -1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4544 -1.1463 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1306 0.3582 1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7421 1.6143 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6556 0.2070 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6766 -1.2961 0.3338 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