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
-3.1895 0.0565 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0201 1.0050 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8277 0.4077 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9108 0.1900 1.3844 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3218 0.0909 -0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.4781 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5385 -0.8255 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7283 -0.2934 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1031 0.3979 -0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3741 -0.0078 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9447 -0.9634 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9203 1.2229 -1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2533 1.9245 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6667 0.2885 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9463 -1.3427 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4192 -1.5404 -1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9464 0.4347 0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5907 -0.5672 -1.0815 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