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
-1.7743 1.0457 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1225 -0.1695 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6135 -1.3843 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0646 -0.0025 -0.4711 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 -0.0511 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2188 -0.2481 1.4494 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5806 0.1157 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5124 1.9145 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.9019 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3277 1.2099 1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1151 -2.2225 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5394 -1.5273 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3301 -0.4784 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4924 -0.2739 -1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9255 1.1698 -0.4570 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