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
-1.7102 0.5927 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9235 -0.5165 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5698 -1.4645 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4412 -0.5885 -0.4247 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1450 0.3728 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5484 1.3427 0.7554 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6379 0.3356 0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7964 0.4485 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4330 1.5567 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6035 0.5887 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0036 -2.2770 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6427 -1.4812 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0783 -0.4795 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8351 0.2270 1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9968 1.3424 0.1071 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