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
-2.5050 0.9087 0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3880 -0.4550 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9908 -0.8809 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8152 -2.0182 -0.7902 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1050 -0.1175 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4007 -0.6404 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4665 0.2999 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3691 0.8009 -0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2664 1.7293 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5846 1.0369 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 0.9442 1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9182 -0.5069 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9044 -1.1672 0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5392 -0.9014 -1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5191 -1.5833 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4979 0.5870 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3115 0.4927 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1051 1.4713 -0.2530 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