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
-1.9550 -0.7203 0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0033 0.0841 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3677 1.1607 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3113 -0.3528 -0.5235 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2129 0.1152 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8057 0.9347 1.3045 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6183 -0.3654 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0139 -0.5283 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7126 -1.7898 0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7784 -0.4252 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3938 1.4970 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 1.6853 -1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7892 -1.2022 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8501 -0.6078 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2509 0.5150 0.6678 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