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
-1.8314 0.2689 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8363 -0.7517 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2278 -1.9583 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5436 -0.5380 0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0659 0.6971 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 1.5876 -0.4553 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5298 0.9633 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8167 1.1412 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8450 -0.1688 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7310 0.5436 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2755 -2.1876 0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5308 -2.7288 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0164 0.7048 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0336 0.3895 -1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6783 2.0373 -0.4301 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