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
    3.6950   -1.2449    0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053   -0.7364    0.1430 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2833    0.5411   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3285    1.2036   -0.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602    1.0529   -0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204    2.2580   -1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2154    0.2347   -0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3518   -0.1329    1.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2922   -1.3153    1.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6422   -0.8257    0.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6409   -0.0586   -0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5184    0.9340   -0.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505   -1.3751   -0.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2561   -0.5370    1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274   -2.2102    0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1465    2.6717   -1.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6957    2.8478   -1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2031   -0.7073   -1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9101    0.7055    1.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6037   -0.3165    1.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4032   -1.7810    2.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8880   -2.0457    0.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2724   -1.7500    0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1001   -0.2578    1.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5989    0.5257   -0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -0.7138   -1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6692    1.8667   -0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360    1.1664   -1.8480 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