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
-1.9514 -0.6219 -0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 0.3427 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4972 0.9734 1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2559 0.5810 -0.4357 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2856 -0.1889 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0197 -1.0765 0.8912 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6998 -0.0514 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4159 -1.3479 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.1800 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6637 -0.0268 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4887 0.7699 1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8225 1.6755 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9122 1.0589 -0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3794 -0.4799 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8894 -0.4280 -1.3966 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