Monomers

Isobutyl methacrylate

Identifiers

IUPAC name
2-methylpropyl 2-methylprop-2-enoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3
InchI Key
RUMACXVDVNRZJZ-UHFFFAOYSA-N
SMILES
CC(COC(=O)C(=C)C)C
Canonical SMILES
CC(C)COC(=O)C(=C)C
Isomeric SMILES
CC(C)COC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
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

 24 23  0  0  0  0  0  0  0  0999 V2000
    2.1850   -0.0329    1.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8566   -1.0487    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726   -0.4384   -0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200   -0.0819    0.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892    0.4935   -0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3204    0.7180   -1.8369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242    0.8695    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6394    1.4241   -0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7910    0.6356    1.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344   -1.3085   -0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608   -0.5349    2.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2384    0.2240    1.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577    0.8313    0.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277   -1.9678    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6746   -1.2102   -1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729    0.4593   -1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5503    1.7028   -0.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5697    1.6157   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2389   -0.2799    1.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620    1.5121    2.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445    0.5962    1.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8020   -0.4231   -0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6133   -2.2054    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8536   -1.5506   -1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  7  9  1  0
  2 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers