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
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
-2.7017 0.4752 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0351 -0.6651 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5694 -0.5207 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1416 -1.3546 0.2574 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 0.4909 -1.0236 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5217 0.5359 -0.9909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0699 0.6068 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8799 -0.3715 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4543 0.5369 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8138 0.3002 0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5390 1.4314 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5091 -0.7492 -1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2712 -1.6112 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9633 -0.3271 -1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8918 1.4351 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8579 1.4048 1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1421 -1.2045 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3289 -0.4135 1.7713 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