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
-1.3990 -1.1138 0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 0.2385 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0922 1.0918 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1526 0.6946 -0.3917 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2752 -0.0914 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0727 -1.2514 0.1702 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6512 0.4021 -0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4876 -1.2466 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9155 -1.3481 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1218 -1.8376 -0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1018 0.7378 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9319 2.1005 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2573 -0.4462 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6260 1.1834 -1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1170 0.8867 0.3125 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