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
-2.0302 -1.0573 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0436 0.0890 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5103 1.3042 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2471 -0.3272 -0.0124 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3908 0.3881 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3194 1.6378 -0.0724 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7234 -0.2777 -0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7506 -1.8483 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0379 -0.6960 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0320 -1.4080 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5968 1.4556 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8592 2.1612 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8824 -1.0436 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7641 -0.8444 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5335 0.4666 -0.3489 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