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
    2.9323   -0.0434    1.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5629   -0.4185    0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7183   -0.9486    1.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852   -0.1839   -0.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0482   -0.4766   -1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174    0.2301   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909    1.1231    0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5343   -0.1150   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -0.1590    2.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1722    1.0052    1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6944   -0.7118    0.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804   -1.5775   -1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010   -0.2069   -2.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2975    1.4674    0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255    1.5705    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5466   -1.2089   -1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3673    0.1862   -0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5932    0.4676   -2.0677 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