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
    3.7002    0.6779   -1.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    0.4678   -0.7377 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2628   -0.5586    0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2985   -1.2706    0.4399 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894   -0.8406    0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004   -1.8157    1.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -0.0161    0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3712   -0.2750    1.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588    0.6968    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8222    0.4648   -0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6086    0.8548   -1.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066   -0.1433   -0.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2278   -0.2900   -1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788    1.2650   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5512    1.1907   -2.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7602   -2.4050    1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260   -2.0540    2.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0916    1.0613    0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7274   -1.3032    1.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560   -0.0036    2.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0224    1.7249    0.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3715    0.6003    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7106    1.0798   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9919   -0.6171   -0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565    1.8432   -1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    0.7641   -2.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721    0.0467   -1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581   -1.1452   -1.1477 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