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
-2.7599 0.2762 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9393 -0.9694 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5009 -0.5448 0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3923 -1.4140 0.5549 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1181 0.7824 0.3022 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2578 1.1047 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0295 0.4476 -0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9994 -0.3917 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8372 -0.0157 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5936 0.9360 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4557 0.7261 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1550 -1.4520 1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0253 -1.6872 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6902 0.8133 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4180 2.2094 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7913 0.6615 -1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2429 -0.6103 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5635 -0.8720 -1.1809 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