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
-2.0002 -0.6554 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 0.3180 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3371 1.6068 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1379 -0.0700 -0.6151 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3164 -0.1791 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2849 0.0936 1.3170 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 -0.5982 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7227 -1.6878 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0207 -0.4722 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9707 -0.5472 1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6638 2.3508 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2727 1.9505 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4168 -0.1570 0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.2532 -1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6427 -1.6997 -0.5000 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