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
0.8179 -2.5498 -0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0173 -1.6974 -1.9263 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7448 -0.6981 -1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9789 -0.8663 -0.9578 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1352 0.3827 -0.5212 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8206 1.3395 0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2231 2.3403 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4561 2.5511 1.9736 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8676 -2.6679 -1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8823 -2.0171 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4350 -3.5676 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7112 -2.2897 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7061 -1.1612 -2.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6271 1.8698 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2693 0.8751 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7946 2.8981 -0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1093 1.9990 2.7043 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1962 3.2594 2.3063 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