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
    2.5946    2.9456   -0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    1.7054   -0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0821    1.1533   -0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0957    1.8361   -0.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556   -0.1559   -1.0597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798   -0.7960   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391   -1.2844    0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013   -1.9161   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8523   -0.3976    1.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5228    3.4078   -0.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7038    3.5707   -0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2587    1.0747   -0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0835   -1.7040   -1.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0293   -0.2085   -1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1395   -2.1751    0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7026   -2.0038    0.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8039   -1.3724   -0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198   -2.9656   -0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9237   -1.0904    2.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7437    0.2437    1.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0977    0.1325    1.5355 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