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
    3.2616   -3.1773   -0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6419   -1.7769   -0.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112   -1.1142    0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224    0.2603    0.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6883    0.2905   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2510    1.7550    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0883    1.8042   -0.3752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1569    1.2326    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9406    0.5689    1.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4924    1.3848   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6899    2.0788   -1.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6352    0.7573    0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9892   -3.1717    0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7166   -3.4543   -1.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -3.9130   -0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1877   -1.1576   -1.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5848   -1.8468   -1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770   -1.0824    0.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1197   -1.6969    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6825    0.9040   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2051    0.7640    1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1122   -0.3205    0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130   -0.1599   -1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3974    2.0978    1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    2.3765   -0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8509    2.5482   -1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6556    2.2336   -1.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1567    1.4772    1.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4208    0.3886   -0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2592   -0.0508    1.0802 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