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
    3.3323    0.4185    0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961   -0.3365    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152   -1.5530   -0.2622 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305    0.1978    0.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -0.6239   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5622    0.1268   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575    1.4116    0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8766   -0.5225   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798    1.4857    0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0365    0.2161   -0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209   -0.0740    1.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627   -1.4715    0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720   -1.1090   -1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4542    2.0101    0.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132    1.9044    0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5763    0.1510   -0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7343   -1.4971   -0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -0.7344    0.6610 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