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
    4.4842    0.6339    0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741   -0.0250    0.7804 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1366    0.0363    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1327    0.7090   -1.0244 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718   -0.6584    0.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288   -1.3740    1.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.5368   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6518    0.9718   -0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1272    1.1694   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9796    0.5477    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1824   -0.5170    1.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640   -1.3123    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3965    1.7285    0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9141    0.2762   -0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2101    0.3433    1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443   -1.4258    2.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0249   -1.8971    1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0651   -0.8102   -1.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926    1.4379    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1255    1.4285   -1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2943    2.2682   -0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3792    0.6957   -1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8629    0.0131   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828    1.2654    1.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597   -0.0371    1.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775   -1.1558    1.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434   -1.4636   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2718   -2.3120    0.4163 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