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
3.3141 0.2241 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0475 0.7616 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9024 -0.0438 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 -0.9989 0.7402 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4110 0.2119 -0.4544 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 -0.6301 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7647 -0.2748 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7176 0.0680 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1998 0.8341 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4219 -0.8266 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1288 0.1375 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1358 0.8042 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9125 1.7964 -0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 -0.5238 1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2254 -1.6806 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9820 -0.2881 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5414 0.0941 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7089 0.3347 0.0616 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