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
2.8217 0.0916 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0335 0.0524 -0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5824 -0.1852 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1733 -0.2365 -1.5743 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0228 -0.3502 0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3601 -0.5763 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1951 0.5519 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0965 0.3146 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0416 1.1404 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7425 -0.5165 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2549 -0.4276 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 -0.7209 -1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1235 1.0136 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5189 -0.6132 2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7117 -1.5235 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0603 1.5520 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2384 -0.6764 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7023 1.1098 -0.9343 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