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
-3.2853 0.3522 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1263 -0.3487 0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8818 0.0233 -0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9354 0.8127 -1.2587 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3702 -0.4647 0.1054 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5003 -0.0304 -0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7251 -0.6509 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6815 0.1145 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6843 -0.2217 -1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0880 0.4971 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9511 1.3311 -0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2643 -1.4493 0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0621 0.0781 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6136 1.0717 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3872 -0.2717 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8054 -1.7222 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6106 1.1960 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5847 -0.3172 0.7967 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