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
    2.9087    0.2438   -0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5623   -0.2897   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395   -0.9562   -1.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300   -0.0942    0.9637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584   -0.6387    1.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543   -0.1142    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880   -0.9577   -0.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6362    1.3411    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4767    0.2567    0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485   -0.4453   -1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101    1.2542   -0.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7444   -0.4211    2.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2969   -1.7485    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7240   -0.5968   -1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8236   -2.0268   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483    1.8528    1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1531    1.8279   -0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7485    1.5127    0.1753 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