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
    3.6977   -0.6534    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463    0.3496   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6878    0.7144   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    1.6919   -0.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342    0.0296    0.8427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3632    0.3227    1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3751    0.2587    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7490    0.5894    0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370   -1.1889   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6897   -0.9225   -0.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031   -1.2666    0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5452    0.9437   -1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    1.3382    1.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6503   -0.3925    2.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0865    0.9466   -0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -0.0345    1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4732    0.1969   -0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9123    1.6605    0.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726   -1.3534   -1.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3574   -1.8283    0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368   -1.4022   -0.8529 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