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
-2.7817 0.5876 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9705 -0.4703 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5682 -0.5019 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2112 -1.3490 0.7103 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0465 0.3681 -0.7291 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3014 0.2851 -1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2088 0.4962 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0805 -0.4331 0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9844 1.4299 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3106 0.9816 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7825 0.2108 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4054 -1.4841 0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0066 -0.3058 1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5282 1.0753 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5425 -0.6782 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1398 1.4437 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1017 -1.3755 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7423 -0.2803 1.3051 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