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
-1.7489 0.6157 0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9944 -0.4201 -0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6793 -1.2922 -1.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3847 -0.5318 -0.3609 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2153 0.3170 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6360 1.2222 1.0152 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7011 0.1734 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8281 0.5814 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 1.6079 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5543 0.5632 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7616 -1.2725 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2044 -2.0790 -1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0487 -0.6823 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1039 1.1397 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0875 0.0574 -0.6943 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