Monomers

2-Methylallyl acetate

Identifiers

IUPAC name
2-methylprop-2-enyl acetate
InchI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3
InchI Key
IVKYUXHYUAMPMT-UHFFFAOYSA-N
SMILES
CC(=O)OCC(=C)C
Canonical SMILES
CC(=C)COC(=O)C
Isomeric SMILES
CC(=C)COC(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
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

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.1211    0.6532   -0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0725   -0.0773   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4451   -0.9288    0.8165 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7278    0.0991   -0.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949   -0.6622    0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5979   -0.3225    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4142   -1.2424   -0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1023    1.0655    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0504    0.0659   -0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3616    1.6407   -0.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703    0.7958   -1.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0015   -1.7222    0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0090   -0.4654    1.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0567   -2.2518   -0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4270   -0.9820   -0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2383    1.5781   -0.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242    1.6774    1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1009    1.0790    0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  5 12  1  0
  5 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers