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
-1.5938 1.0526 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0690 -0.3286 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9289 -1.3367 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2611 -0.6464 0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2977 0.2485 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9874 1.4627 0.2233 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7336 -0.1879 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6991 1.0393 0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3292 1.6394 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2374 1.5725 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9941 -1.1547 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6235 -2.3696 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 -1.1424 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9706 -0.3848 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4062 0.5360 -0.2522 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