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
-1.9138 -0.9202 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0266 0.1708 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4766 1.3998 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2908 -0.1069 0.8632 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 0.0084 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 0.3563 -1.2762 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6789 -0.2661 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8789 -0.4728 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0925 -1.6873 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4062 -1.3920 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4894 1.6920 0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8081 2.1652 1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8824 0.0133 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8443 -1.3408 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2695 0.3804 -0.5712 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