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
-1.9198 0.8153 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0059 -0.3336 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4199 -1.5405 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2911 -0.1214 -0.7291 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2319 0.1532 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8628 0.1958 1.4847 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6604 0.4023 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8981 0.5177 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5480 1.7259 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1563 1.0025 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7415 -2.4038 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4192 -1.7811 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2142 -0.5169 0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9947 1.2026 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8535 0.6820 -1.0703 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