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
-1.5283 -1.2603 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1287 -0.7773 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 -0.8041 1.8639 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4059 -0.2805 -0.3823 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3425 1.0512 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2258 1.8705 -0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9738 1.4146 -2.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7609 -1.7710 1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2566 -0.4124 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6889 -1.9477 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1920 -1.1991 2.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6493 -0.4413 1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2223 1.2862 -2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2914 2.4781 -2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8823 0.7931 -2.2377 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