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
-1.7201 -0.7758 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0049 0.4835 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 1.5276 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3624 0.5947 -0.1021 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1994 -0.4000 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7070 -1.5231 0.5920 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -0.1504 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3054 -1.5706 -0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5420 -1.1258 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8111 -0.6933 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7609 1.4510 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1666 2.4582 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0352 0.3483 -0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8511 0.4881 1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1830 -1.1124 0.5296 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