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
-1.6396 -0.8464 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 0.5106 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7716 1.5744 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3402 0.6794 0.2136 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2005 -0.3843 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7882 -1.5548 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6602 -0.1355 0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1895 -1.4456 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4827 -1.4227 0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7387 -0.7421 -0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8238 1.4805 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3267 2.5421 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9497 0.8425 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1993 -0.9765 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8566 -0.1216 1.7138 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