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
   -4.4826   -0.6585   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7643    0.2945   -1.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2565    0.1035   -0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171    0.3876    0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489    0.2359    0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995    1.1565   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7510    0.9903    0.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614   -0.1800    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8593   -1.1886   -0.3467 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766   -0.2391    0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    0.8146    0.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6329   -1.5071    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5170   -0.8608   -0.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5455   -0.2806    0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9978   -1.6640   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0939    0.2297   -2.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0197    1.3302   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6892    0.7031   -1.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0218   -0.9644   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2051    1.4259    0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4562   -0.2912    1.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835   -0.8186    0.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3183    0.5430    1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1278    2.2075    0.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2320    1.1095   -1.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5655    0.7854    1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    1.7514    1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0560   -2.2330   -0.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8383   -1.9335    1.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014   -1.2491   -0.2249 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