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
    4.6136   -0.0371    0.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472   -0.0755   -0.3253 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790   -0.2531    0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448   -0.3878    1.4198 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607   -0.2930   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561   -0.1494   -1.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -0.4842   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    0.5568    1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1054    0.5539    1.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862    0.7145    0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8204   -0.5268   -0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072   -0.4849   -1.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4515   -0.4748   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918   -0.5705    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9228    1.0021    0.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723   -0.0144   -2.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -0.1753   -2.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -1.4817    0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    1.5554    0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0851    0.2688    1.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2366    1.3917    2.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3765   -0.3800    1.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7070    1.5886   -0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0508    0.8403    0.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5058   -0.4095   -1.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0779   -1.4436   -0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3266    0.4776   -1.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1877   -1.3078   -1.8273 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