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
-2.2570 -0.6725 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9969 0.1731 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2335 1.4598 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1975 -0.4366 -0.1123 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4302 0.1149 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5498 1.3606 -0.2150 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6713 -0.7077 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0228 -1.6110 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1077 -0.1358 -0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4837 -0.8532 1.2655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2338 1.8721 0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4463 2.1868 0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4996 -0.2555 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4692 -1.7638 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9642 -0.7312 -1.5221 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