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
    3.9611   -0.8912    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5012   -0.2975   -1.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    1.1494   -1.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9886    1.3754   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    0.6169   -0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410    0.8856    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5154    0.1646    0.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790    0.2307    0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6129    0.9535    1.8860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8940   -0.4748    0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9448   -1.2168   -0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0786   -0.3418    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4476   -1.8815    0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -0.2410    0.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0546   -1.1571    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -0.3533   -1.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674   -0.8520   -1.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9691    1.8211   -0.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7315    1.4629   -2.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436    1.0310    0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7376    2.4467   -0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4277    0.8205   -1.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -0.4692   -0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0332    0.5240    1.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191    1.9574    0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8378   -1.7444   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0774   -1.3034   -1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0567   -1.1707    2.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0639    0.6169    1.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0382   -0.4510    0.8165 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