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
    5.1278    0.0076   -0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0467    0.2275    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6590   -0.0286   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766    0.2298    0.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    0.0052    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7326    0.2620    1.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432    0.0533    0.9595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.7105   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910    1.6064   -0.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0797    0.4176   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7000    1.0621   -1.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8481   -0.6416    0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8074    0.1927   -1.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9475    0.7252   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5715   -1.0034   -0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0958    1.2716    0.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -0.4789    0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022    0.6970   -1.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5325   -1.0592   -0.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8192    1.2867    1.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9475   -0.3853    1.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534    0.7154   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1426   -1.0158   -0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643    1.2313    1.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5158   -0.5310    2.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2220    1.8420   -1.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7206    0.8374   -1.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5470   -1.1542   -0.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4829   -0.1771    1.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1440   -1.3857    0.7005 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