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
-1.9308 0.8024 0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0321 0.0619 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5048 -0.9184 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3115 0.3909 -0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2576 -0.2284 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 -1.0955 1.1603 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6968 0.1190 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1370 1.7958 0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8663 0.2265 0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4376 0.9698 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5492 -1.1565 -1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8483 -1.4547 -1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2510 -0.8535 0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9524 0.7695 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9140 0.5713 -0.7628 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