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
1.8065 -0.8438 0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0392 0.1763 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6765 0.9490 -0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3071 0.4449 0.3642 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3114 -0.1194 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9304 -0.9498 -1.2296 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7581 0.2000 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2921 -0.3632 1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6487 -1.2342 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2355 -1.7227 1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7338 0.8276 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2021 1.7393 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3808 -0.5444 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9847 0.2547 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9618 1.1858 -0.6688 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