Monomers

Hexyl methacrylate

Identifiers

IUPAC name
hexyl 2-methylprop-2-enoate
InchI
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
InchI Key
LNCPIMCVTKXXOY-UHFFFAOYSA-N
SMILES
CCCCCCOC(=O)C(=C)C
Canonical SMILES
CCCCCCOC(=O)C(=C)C
Isomeric SMILES
CCCCCCOC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.686
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

 30 29  0  0  0  0  0  0  0  0999 V2000
   -4.0402   -0.4549   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5134   -0.1339    1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191    1.2527    1.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7663    1.4230    0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    0.4435    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4465    0.7286   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5057   -0.1802   -0.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6644   -0.2182   -0.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8249    0.5701   -1.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337   -1.1696   -0.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5784   -2.0044    0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877   -1.2113   -1.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4996    0.4389   -0.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2428   -0.9123   -0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8509   -1.2047   -0.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3483   -0.2672    1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7032   -0.8732    1.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7079    1.9697    0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381    1.4845    2.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711    1.2874   -0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312    2.4340    0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313    0.5501    1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9646   -0.6094    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0103    0.6087   -1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    1.7605   -0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3501   -2.7081    0.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872   -1.9962    0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532   -0.5223   -1.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7402   -0.9950   -2.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782   -2.2460   -1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  3
 10 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers