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
    3.2089   -0.2821    0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0240   -0.0972   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2329   -0.0243   -1.6687 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7334   -0.0048    0.0822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3081    0.1724   -0.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315    0.2603   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3815    1.3257   -0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1602   -0.8608    0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9493   -0.6618    1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9462   -0.9999    0.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7819    0.6762    0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1992   -0.6872   -1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258    1.0705   -1.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3711    1.4521    0.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9988    2.1490   -1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9198   -0.4974    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2798   -1.3265    1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6008   -1.6642   -0.0958 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