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
    4.2511   -1.0414    1.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1477   -0.1488    0.9390 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0783   -0.3387    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0468   -1.3351   -0.6468 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404    0.5972    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9157    1.6639    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1668    0.3155   -0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6459   -1.0838   -0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1344   -1.2254   -0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9126   -0.2267    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2797    1.1159    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2282    1.3329   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0822   -1.8909    1.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5574   -1.3576   -0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906   -0.4372    1.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1551    2.4065    0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7694    1.8244    1.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2935    0.3291   -1.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205   -1.7449   -1.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398   -1.4292    0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189   -1.2248   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3768   -2.2458   -0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9686   -0.1426   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -0.6226    1.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9314    1.3378    1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0748    1.8942   -0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554    2.3586   -0.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7733    1.3194   -1.8727 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