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
2.9463 -0.2010 -0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1831 0.8465 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9210 0.2546 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9787 -0.5163 1.5066 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3144 0.5102 -0.1064 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4618 -0.1283 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6799 0.2436 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4124 -0.6839 -0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9013 -1.1328 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9876 0.1779 -0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4452 -0.2983 -1.7823 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8122 1.0550 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0672 1.7788 -0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5879 0.2372 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3252 -1.2130 0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9840 1.2723 -0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3157 -0.4509 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1612 -1.7517 -0.8282 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