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
-1.7730 -0.9199 0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0240 -0.1988 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2968 -0.3931 -1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0278 0.6846 -0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2775 0.2389 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5562 -0.9680 -0.2231 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 1.2308 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8670 -0.2040 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2060 -1.8183 0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.2103 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0736 -1.0814 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7444 0.1369 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1672 2.1472 -0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1633 1.5218 1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3367 0.8335 0.2720 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