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
-1.6638 1.0141 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0316 -0.3135 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8515 -1.3426 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2937 -0.5731 0.1041 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 0.3180 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0514 1.5213 0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7066 -0.2149 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0909 1.7358 0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6648 0.9568 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8410 1.4708 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4213 -2.3370 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9243 -1.2596 0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3891 0.4091 0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7661 -1.2665 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9538 -0.1186 -1.2230 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