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
    3.8838   -1.3964   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799   -0.4917    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448    0.7364   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9464    1.7451    0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6322    1.2491    1.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059    0.8167   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859    0.3306    0.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917   -0.1134   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052   -0.0534   -1.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7075   -0.6212   -0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1542   -0.7036    0.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5955   -1.0697   -1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2873   -1.6804   -1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3135   -2.2643    0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7538   -0.7799   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1612   -1.0783    0.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6837   -0.2796    1.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2811    0.3999   -1.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    1.1621   -0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    2.6484   -0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    2.0771    1.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1406    2.1073    1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6990    0.4437    1.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209    0.0997   -0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204    1.7208   -0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5105   -0.3779    1.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1165   -1.0734    1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483   -1.5785   -2.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1057   -0.1823   -1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3729   -1.7928   -0.9867 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