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
-1.8102 1.4420 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0160 0.1331 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6893 -0.9508 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3131 0.3376 -0.2257 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 -0.6343 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9112 -1.8243 -0.0786 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7347 -0.2954 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8611 1.2665 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6342 1.8187 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3047 2.1270 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7827 -0.8941 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2827 -1.9279 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8164 0.2871 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0576 0.3617 0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2875 -1.2471 -0.4756 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