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
-2.0411 -0.5984 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0010 0.3914 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2110 1.7023 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2690 -0.0139 -0.6843 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2255 -0.2557 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9316 -0.1054 1.5153 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5973 -0.6901 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1345 -0.7940 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0379 -0.3330 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 -1.5755 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4445 2.4311 -0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1763 2.0872 0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2874 0.0812 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7242 -0.6387 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7723 -1.6886 0.3416 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