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
    2.9225    0.4127    0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.2417    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0994   -0.7911    1.4055 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.2310   -0.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861   -0.8088   -0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3908   -0.2120   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0302   -0.9502    0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6753    1.2326   -0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5849   -0.1395   -0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3420    0.3764    1.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8143    1.4777    0.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968   -0.5433   -2.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3516   -1.9187   -0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8240   -2.0083    0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.5360    1.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    1.7438    0.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411    1.6289   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6880    1.5083    0.2010 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