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
-1.5130 1.6640 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9665 0.3399 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7712 -0.5573 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3600 0.1519 -0.1214 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1548 -0.9235 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6498 -1.9563 0.6084 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6098 -0.7901 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5724 1.5799 -0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9098 2.1022 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4934 2.3861 0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5195 -1.5323 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8552 -0.3240 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0134 -0.0121 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1431 -1.7547 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6701 -0.3737 -1.2100 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