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
    4.2593   -0.0591   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674   -0.2289    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8798    0.2245   -0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9806    0.7826   -1.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6291    0.0455    0.1519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4869    0.4998   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7239    0.1912    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9120    0.7027   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734   -1.2944    0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3683    0.4274   -1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1745   -0.3796    0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0326   -0.7176    1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848    1.5856   -0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589   -0.0583   -1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7124    0.7003    1.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0290    0.1107   -1.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8317    0.7678    0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485    1.7331   -0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537   -1.7996   -0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4573   -1.6081    1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7191   -1.6255    0.6863 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