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
    3.7471    0.6681   -0.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450    0.5865    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761   -0.1233    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512   -0.6710   -0.9314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6148   -0.2225    1.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6090   -0.8337    1.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648   -0.3782    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0656    1.0720    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5131   -0.7001   -1.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646    1.1819   -0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619    0.1924   -1.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239    1.0539    1.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098   -0.7678    2.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -1.9613    0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -0.9497    0.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3334    1.7789   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0551    1.1764   -0.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2934    1.2529    1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447    0.1073   -1.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743   -0.7594   -1.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0933   -1.7035   -1.4215 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