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
    3.9955    0.0638   -0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463   -0.2520    0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7409    0.1652    0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4115    0.8128   -0.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7886   -0.1083    1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5493    0.1532    1.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130   -0.4449    0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328   -0.1040   -1.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9072    0.0855    0.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    0.6215   -1.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0390   -0.2047   -0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5129   -0.8127    1.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8798   -0.1883    2.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7763    1.2651    1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5839   -1.5588    0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1810    0.9602   -1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5738   -0.7586   -1.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3179   -0.3201   -1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8867    1.1889    0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010   -0.1834    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6776   -0.3806    0.0829 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