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
-3.2674 0.7388 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0676 0.2011 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8619 0.1382 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8729 0.5062 -1.3642 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3327 -0.3296 0.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5027 -0.3973 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5993 -0.9419 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7015 -0.2413 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8252 -0.1279 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9849 1.2522 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0003 1.4429 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3212 -0.8491 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9443 0.8374 1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 -1.0494 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7870 0.6387 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5166 -1.9250 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4956 -0.6238 1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7996 0.7298 0.2131 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