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
    3.4770    0.9314   -0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3404   -0.3784   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0067   -0.9279    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8406   -2.1675    0.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8699   -0.1387    0.1629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4026   -0.7361    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5026    0.3026    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5528    1.1244   -0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8092   -0.4248    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690    1.3837   -0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399    1.5957   -0.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1818   -1.0407   -0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485   -1.2686    1.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6087   -1.5048   -0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900    0.9791    1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757    0.8899   -1.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6544    2.2029   -0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720    1.0019   -1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3306    0.0354    1.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4278   -0.3682   -0.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503   -1.4913    0.8431 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