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
-1.6779 1.1946 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0641 -0.0310 -0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7876 -1.1274 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2225 0.0343 -0.7575 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2450 -0.2302 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9826 -0.5158 1.3685 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6506 -0.1792 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2191 2.1039 -0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7710 1.1651 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5282 1.2840 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7909 -1.1343 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3259 -2.0131 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1053 0.8100 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1954 -0.9993 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7633 -0.3616 -1.3741 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