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
-1.8261 -1.0349 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0769 0.1442 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6102 1.3393 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2356 -0.0306 0.6385 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2715 0.0963 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9945 0.3747 -1.4492 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6726 -0.0987 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1385 -1.6821 -0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6504 -0.6725 -0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2708 -1.5536 0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0151 2.1539 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6370 1.4405 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7626 0.4985 1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8743 -1.1713 0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4139 0.1961 -0.5421 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