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
-1.9594 -1.1973 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0210 -0.0203 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5551 1.1596 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2959 -0.3076 0.0122 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3625 0.5429 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1981 1.7600 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7248 -0.0951 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7542 -0.9709 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3438 -1.2883 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4693 -2.1254 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6592 1.2357 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0007 2.0915 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9660 -0.3815 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7167 -0.9964 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4987 0.5930 -0.3238 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