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
    4.3180   -0.5211   -0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0741   -0.9332    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617   -0.0047    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2051    1.2191   -0.1399 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6433   -0.3995    0.1607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.6045    0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433    0.0017    0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1032   -0.9739   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7289    1.1567    0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1448   -1.2161   -0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5300    0.5173   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8905   -2.0029    0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181    1.1868   -0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573    1.3118    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7854   -0.4861    1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793   -1.6783   -0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513   -1.5857   -1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5158   -0.4817   -1.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9304    1.5639   -0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6503    0.7759    0.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3335    1.9458    1.0599 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