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
-1.9116 -0.9786 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0631 0.2495 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4165 1.3362 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1313 0.2855 0.7053 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 -0.0813 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2461 -0.4320 -1.1088 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5830 -0.0404 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7280 -0.8466 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3309 -1.8622 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3127 -1.0736 -1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8219 2.2240 -0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3318 1.3233 -1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3633 -0.4899 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4530 -0.6348 1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 1.0209 1.0677 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