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
    3.3241    0.6642    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108   -0.1638   -0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3082   -1.3263   -0.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244    0.2929    0.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2384   -0.5684   -0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667   -0.0012    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6946    1.2250    0.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758   -0.8383   -0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070    1.5287    0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0800   -0.0028    0.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    1.0166   -0.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1272   -1.5696    0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2279   -0.7883   -1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8317    1.8691    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6573    1.6790    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5326   -1.8616   -0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3766   -0.8195    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3749   -0.3357   -0.8872 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