Monomers
Isopropenyl acetate
Identifiers
IUPAC name
prop-1-en-2-yl acetate
InchI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InchI Key
HETCEOQFVDFGSY-UHFFFAOYSA-N
SMILES
CC(=C)OC(=O)C
Canonical SMILES
CC(=C)OC(=O)C
Isomeric SMILES
CC(=C)OC(=O)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
1.0831
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
15 14 0 0 0 0 0 0 0 0999 V2000
-1.7503 0.9484 0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0758 0.0919 -0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7383 -0.8392 -1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2740 0.3502 -0.5729 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2468 -0.2839 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8473 -1.1084 1.0092 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 -0.0634 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0715 0.9441 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8817 1.9889 0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7224 0.5599 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7880 -1.0017 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2774 -1.4697 -1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0856 -0.8117 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1896 -0.2690 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 0.9637 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
3 11 1 0
3 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers