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
   -4.6013    0.9073   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1418    0.9568   -0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5238   -0.4026   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308   -0.2795   -0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4488   -1.6258   -0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626   -1.8644   -0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9585   -1.1085   -0.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2834    0.2018   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6055    0.9120   -1.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045    0.8046    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7013    2.0860    0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934   -0.0659    1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9076    1.9266    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2370    0.6066   -0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7128    0.2170    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535    1.6925    0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690    1.2085   -1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9976   -1.1716   -0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5155   -0.6847    0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6291    0.4747    0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9761    0.1377   -1.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0556   -2.4098   -0.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6266   -1.8834    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0969   -1.9158   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897   -2.9475   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272    2.4912    0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926    2.6815   -0.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0852   -0.4630    0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4476    0.4619    2.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5785   -0.9444    1.6435 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