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
-1.6551 -0.3629 0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9973 0.3378 -0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7145 0.9934 -1.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3742 0.3495 -0.5693 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2018 -0.3058 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6870 -0.9072 1.2786 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6641 -0.2728 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5045 -1.4599 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3777 0.0575 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7631 -0.1605 0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2800 1.5140 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7834 1.0104 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2460 -0.0769 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 0.5198 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9816 -1.2365 -0.4097 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