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
-2.4963 -0.9014 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1717 0.5057 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6995 0.5654 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1047 0.5508 1.4489 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0288 0.6334 -0.8097 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3554 0.6955 -0.9344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0820 -0.4505 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9740 -0.3080 0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9283 -1.5943 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5885 -1.0549 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0647 -0.9141 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6051 0.5880 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6204 1.2876 -0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6017 0.7561 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7061 1.6287 -0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8510 -1.4363 -0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4688 -1.1884 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 0.6367 1.0915 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