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
   -1.9198    0.8153   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0059   -0.3336   -0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199   -1.5405   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   -0.1214   -0.7291 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.1532    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8628    0.1958    1.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604    0.4023   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8981    0.5177   -0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480    1.7259   -0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1563    1.0025    0.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7415   -2.4038   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4192   -1.7811    0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2142   -0.5169    0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9947    1.2026    0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535    0.6820   -1.0703 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