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
-1.7903 1.1256 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0872 -0.0361 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6678 -1.1838 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2485 0.0919 0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2670 -0.2254 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9650 -0.6259 -1.4244 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6659 -0.0617 0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5096 0.7758 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3256 1.7071 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0341 1.7820 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1276 -1.9871 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6967 -1.3119 0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3438 0.0378 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7871 0.8755 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9616 -0.9638 0.7437 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