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
-1.7856 0.9847 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0692 -0.2857 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6987 -1.2536 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2451 -0.3710 0.6209 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2460 0.0285 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9061 0.4461 -1.3682 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6897 -0.0160 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8769 1.1814 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1348 1.7998 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7551 1.0426 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1556 -2.1751 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7192 -1.1660 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0370 0.9134 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8257 -0.9189 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2453 -0.2102 -0.8430 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