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
    2.9705   -1.2037    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401   -0.4427   -0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2753   -0.5044   -1.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0736    0.3421    0.6600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    1.0811    0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2927    0.3108    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4171   -0.9792   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448    1.1351   -0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4489   -1.5658   -0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.5926    0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7524   -2.0999    0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0997    1.8956   -0.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260    1.6458    1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733   -1.6264    0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594   -1.4320   -0.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5247    2.0271    0.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    1.4822   -1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4486    0.5267   -0.0566 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