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
-1.4839 -1.0271 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1146 0.3391 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0531 1.2500 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1950 0.6947 -0.1997 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2626 -0.1610 -0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0541 -1.3548 0.2627 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6742 0.2445 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5813 -1.1440 0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9864 -1.2204 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1607 -1.7960 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0923 1.0021 0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8227 2.2544 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8013 1.3497 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0165 -0.1473 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2912 -0.2839 0.4532 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