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
-1.8483 0.9895 0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 -0.1466 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5721 -0.8652 -1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1437 -0.5516 0.2735 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 -0.0118 -0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1616 0.8373 -1.1662 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6656 -0.3931 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3699 1.9651 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0693 0.8389 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8415 1.0257 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0484 -1.6995 -1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5551 -0.5626 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6752 -0.6819 1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3349 0.4913 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1135 -1.2355 -0.3376 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