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
    4.2099    1.4872   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    0.5355    0.1367 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9397    0.5777   -0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991    1.4839   -1.2573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820   -0.3808   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1116   -1.3364    0.7599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420   -0.2715   -0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2869   -1.4627   -0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1829   -1.4893    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1047   -0.2209    1.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2773    0.9349    0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0852    1.0437   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790    1.0604    0.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0628    2.4263    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140    1.7010   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3905   -2.0748    1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0853   -1.3981    1.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1909   -0.2016   -1.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6613   -2.3734   -0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627   -1.5914   -1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2590   -1.6025    0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9694   -2.3368    1.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9870   -0.2320    2.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2091   -0.1462    2.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4563    1.8936    0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1532    0.6723   -0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161    1.6123   -1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324    1.6896    0.0646 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