Monomers

Isobutyl acrylate

Identifiers

IUPAC name
2-methylpropyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
InchI Key
CFVWNXQPGQOHRJ-UHFFFAOYSA-N
SMILES
C=CC(=O)OCC(C)C
Canonical SMILES
CC(C)COC(=O)C=C
Isomeric SMILES
CC(C)COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.3716
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

 21 20  0  0  0  0  0  0  0  0999 V2000
    4.1092   -0.8399   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8503   -0.9629    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510   -0.0805   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1985    0.8404   -1.0543 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4919   -0.1739    0.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820    0.7556   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8038    0.5825   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.7251    1.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4038   -0.7201   -0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800   -0.0549   -0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8986   -1.4870    0.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659   -1.7422    0.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594    1.7687   -0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3601    0.7177   -1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3960    1.3946   -0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624    0.2027    1.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0423    1.7981    1.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1888    0.2620    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5209   -0.5612   -0.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0896   -0.8412   -1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1363   -1.5838    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers