Monomers

2-Cyclohexylacrylic acid methyl ester

Identifiers

IUPAC name
methyl 2-cyclohexylprop-2-enoate
InchI
InChI=1S/C10H16O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InchI Key
XHYNRSNMLFADHQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C1CCCCC1
Canonical SMILES
COC(=O)C(=C)C1CCCCC1
Isomeric SMILES
COC(=O)C(=C)C1CCCCC1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O2
Heavy Atom Count
12
Molecular Weight
168.236
Exact Molecular Weight
168.115
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2959
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 28 28  0  0  0  0  0  0  0  0999 V2000
    3.9432   -0.0974   -1.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    0.1534   -0.9039 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047    0.3858    0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380    0.3831    1.3297 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963    0.6488    0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199    0.8578    2.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497    0.6736   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235    1.2313    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758    0.2559    0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7263   -0.9010   -0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060   -1.5577   -0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2659   -0.6801   -0.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3483    0.7487   -1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165   -0.9940   -1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5948   -0.2682   -0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3162    0.8339    2.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4787    1.0443    2.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808    1.4046   -1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4271    1.9910    0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    1.8263   -0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3562   -0.1749    1.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5598    0.7622    0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873   -0.6007   -1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4220   -1.6213    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1757   -2.1061    0.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112   -2.3726   -1.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190   -0.5589   -2.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6598   -1.2676   -0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers