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
2.5551 0.6363 -1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1959 -0.5713 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8376 -0.4385 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6144 0.3163 1.3388 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2770 -1.1061 -0.1569 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5623 -0.9616 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0374 0.4542 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1284 0.7784 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5243 0.4135 -1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8200 0.8072 -1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7380 1.5352 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3493 -1.4895 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9105 -0.5687 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2424 -1.6410 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6083 -1.2645 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4766 1.2416 0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7431 0.0466 -0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4696 1.8119 -0.3349 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