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
-1.7380 -0.6171 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9352 0.6273 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5083 1.7850 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 0.5949 -0.0716 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1341 -0.5400 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5140 -1.6150 -0.4408 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6136 -0.5270 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8087 -0.4149 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7172 -1.0657 -0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3493 -1.2904 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5654 1.8629 0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9339 2.6987 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1028 -0.3869 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8800 0.3382 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8853 -1.4500 -1.1678 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