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
-1.9526 -0.8227 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0340 0.2614 0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3788 1.5222 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2512 -0.0851 0.7366 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2175 -0.0736 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9083 0.2358 -1.4737 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6153 -0.4177 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1789 -1.4392 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8539 -0.3052 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4597 -1.4177 -0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7154 2.2789 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3822 1.8066 0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7421 -0.5454 1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3048 0.3946 -0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9163 -1.3930 -0.4712 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