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
-0.4123 -0.9072 2.1355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4011 0.0047 1.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6733 0.1747 1.6234 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1895 0.6544 0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2200 0.1241 -1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 -1.0038 -1.1944 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 0.8218 -2.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 -0.3555 2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0377 -1.5694 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1834 -1.5309 2.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1316 -0.3368 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2436 0.8509 0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9780 0.8041 -2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5796 1.8946 -2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5160 0.3743 -3.1313 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