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
-1.9760 -0.8020 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9963 0.3041 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4438 1.5042 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3545 0.1396 0.5564 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2838 -0.1674 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8594 -0.3035 -1.5945 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7416 -0.3386 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9881 -0.4534 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6714 -1.5727 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1765 -1.2500 -0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7498 2.3193 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4972 1.6985 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3208 -0.1303 -1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0783 0.3968 0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8607 -1.3445 0.3089 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