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
-1.5090 1.4848 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1014 0.0945 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9198 -0.9042 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1353 -0.1635 0.7397 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2184 -0.3667 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0536 -0.3117 -1.3367 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5920 -0.6503 0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1157 1.5663 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6059 2.1328 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1235 1.9268 0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8872 -0.7032 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6036 -1.9375 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 -0.9335 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9859 -1.4824 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2240 0.2479 0.1936 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