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
    4.2630    0.4244   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908   -0.0710    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8446    0.6317   -0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8033    1.7489   -0.7995 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6300    0.0853    0.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139    0.7102   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621   -0.2472    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4964   -1.5524   -0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0528    0.2860    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1766   -0.0811   -0.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750    1.3863   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771   -1.0290    0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554    1.6506    0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8597    0.8424   -1.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3704   -0.4364    1.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4099   -1.8189   -0.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6669   -1.3711   -1.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1528   -2.3203    0.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3942    0.0597   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1316    1.3721    0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6944   -0.2701    1.0866 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