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
-1.8834 0.9370 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0443 -0.0512 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5553 -1.2033 -0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2791 0.2055 -0.5397 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2624 -0.1319 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8633 -0.6703 1.4394 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7070 0.1031 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4753 1.9864 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 0.7474 1.5143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9173 1.0068 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6061 -1.4189 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9648 -1.9759 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1720 0.2335 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2225 -0.7924 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9200 1.0241 -0.4019 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