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
    4.2708   -0.5658    0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070   -0.9515    0.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9537    0.0003    0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2452    1.1913    0.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6077   -0.3285    0.4700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3907    0.6517    0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7658    0.0849    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7374    1.1898   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9597   -1.0826   -0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0897   -1.2473    1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    0.4532    0.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7914   -1.9704    1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3106    1.4257    0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1704    1.0294   -0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0289   -0.2812    1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3524    1.8453   -0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9462    1.8541    0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7131    0.8025   -0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0545   -1.2900   -0.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829   -1.9746   -0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5637   -0.8361   -1.7302 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