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
-2.9665 -0.6507 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0622 0.4594 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6263 0.1751 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2023 -0.8740 0.8702 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2776 1.1528 0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6594 1.0784 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3173 -0.0211 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9984 -0.9411 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9827 -0.1945 0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6658 -1.1026 1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1374 -1.4110 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3544 1.4064 0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1533 0.5970 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9608 1.0688 1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0878 2.0469 -0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2508 -0.0907 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1151 -0.9453 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4837 -1.7538 -0.3917 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