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
2.7658 0.9659 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0937 -0.3864 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6955 -0.2406 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2517 0.8694 0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2025 -1.2845 0.0683 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5229 -1.2020 0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3684 -0.2587 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9370 0.7609 0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6145 0.9500 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1567 1.2543 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0787 1.7579 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6808 -1.0965 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1380 -0.8047 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9676 -2.2301 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5871 -1.0430 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5259 -0.4031 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5559 1.4452 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8080 0.9459 1.4735 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