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
-1.7401 -1.1429 0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0489 0.1705 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7213 1.2936 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3082 0.1767 0.6380 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2243 0.0886 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8095 0.0030 -1.5594 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6806 0.0913 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 -1.8118 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5570 -1.6510 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8419 -1.0487 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7697 1.2402 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2699 2.2638 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2623 0.1511 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0197 -0.8361 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9663 1.0116 0.4651 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