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
    3.7827    1.5610    0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4755    0.9890    0.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198   -0.3767    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709   -1.0470    0.6648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909   -1.0100    0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356   -2.3004    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447   -0.2272    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4350   -1.1411    0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -0.3709    0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524    0.5819   -0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    1.3698   -0.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2832    0.4707   -0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    0.8332   -0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0974    1.6494    1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7799    2.5418   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -2.8515    0.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8855   -2.8446    0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3597    0.5290    1.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4053   -1.9363   -0.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4728   -1.6455    1.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9405    0.1616    1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5296   -1.1369    0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0732    0.0734   -1.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5786    1.3244   -0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5709    1.9524   -1.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284    2.0921   -0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264    1.0546   -1.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4377   -0.2963   -1.7500 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