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
1.8429 -0.8415 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0576 0.3208 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5565 1.2469 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2553 0.4267 -0.4764 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2583 -0.1502 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9521 -0.7520 1.3212 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6559 -0.0356 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4755 -1.2164 -1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7723 -1.7079 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9201 -0.5617 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9826 2.0963 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 1.1791 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2853 -0.8419 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7227 -0.1367 -1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0546 0.9740 0.0558 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