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
-1.9753 -0.6981 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9802 0.3996 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3834 1.6242 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3618 0.1137 0.6701 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2258 -0.2044 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 -0.2392 -1.5189 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6618 -0.5143 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0049 -1.2112 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6987 -1.4057 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9855 -0.3203 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4250 1.8271 0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6546 2.4117 0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2415 0.3884 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9314 -1.3112 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9143 -0.8603 0.8584 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