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
    4.2757   -0.0040    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0955   -0.5400    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9364    0.3282    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.5829   -0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577   -0.1931   -0.1127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4605    0.6588   -0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830   -0.2276   -0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9471    0.6054   -0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8077   -1.1253    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1611   -0.6173    0.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4318    1.0575    0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320   -1.5954    0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5397    1.4003    0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    1.1652   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100   -0.9012   -1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1902    0.7004   -1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7295    0.1293    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836    1.6337   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232   -2.0625    0.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767   -0.6307    1.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8107   -1.3646    1.2677 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