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
-1.8330 -1.0273 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0445 0.0675 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5874 1.2417 -0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.1332 -0.7309 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2305 0.1147 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8923 0.5009 1.3934 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6822 -0.0615 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2807 -1.3774 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8549 -0.7196 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9230 -1.8888 -0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6218 1.4663 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0201 2.0789 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1182 0.9548 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0965 -0.5445 0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8835 -0.6726 -0.9145 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