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
2.7842 0.3255 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9311 0.5137 0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5440 0.0213 0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2773 0.1184 1.4989 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0793 -0.5474 -0.6219 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2766 -1.0018 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1937 0.1459 -0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0850 0.1332 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4053 1.2206 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1754 0.1312 -1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5092 -0.5251 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3887 -0.0627 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9343 1.6070 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4965 -1.7834 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4053 -1.4803 -1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1126 0.9888 -1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1345 -0.7344 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7701 0.9295 0.6561 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