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
    3.1293    0.0820   -0.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9572   -0.6960   -0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0352   -1.9119   -0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471   -0.0659   -0.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686   -0.8189    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.1285    0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917    0.2974    1.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0287    0.9026   -0.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9922   -0.5788   -1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8226    0.6384   -1.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4047    0.7901    0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6514   -1.5519   -0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2146   -1.2886    1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779   -0.2266    2.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213    0.9798    1.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336    0.6650   -1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8577    1.9789   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1346    0.6760   -0.8007 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