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
3.1930 0.0563 0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 0.6969 0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7940 -0.2459 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1059 -1.4079 -0.3111 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5571 0.0718 0.0447 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5096 -0.8949 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8938 -0.3585 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1325 0.8742 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5943 -0.0725 1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8850 0.7778 -0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1617 -0.8963 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6118 1.0414 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7762 1.5967 -0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4069 -1.7715 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2872 -1.2655 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7046 -1.0169 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1370 1.2674 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3346 1.5475 0.3898 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