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
-1.3579 -1.5896 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9601 -0.1934 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8869 0.7175 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3634 0.1415 0.5415 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.5134 -0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5394 0.5423 -1.6712 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5275 0.8577 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4999 -2.2615 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0355 -1.6829 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9298 -2.0175 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5786 1.7487 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9525 0.5107 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9717 0.1238 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6032 1.8806 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0909 0.7088 -1.3010 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