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
-1.7250 0.0651 -0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9446 -0.2016 0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5978 -0.5989 1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4255 -0.0671 0.6282 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1700 0.3420 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5521 0.5825 -1.5131 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6295 0.4826 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7948 -0.1267 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4645 -0.5730 -1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6177 1.1606 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0560 -0.8018 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6707 -0.7356 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0671 0.2043 -1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9561 1.5014 -0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0707 -0.2162 0.4148 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