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
    4.5953    0.2877   -0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -0.3315    0.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1459    0.0203   -0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.9498   -1.2378 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460   -0.6612    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1087   -1.6262    0.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096   -0.2803   -0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6220    1.1970   -0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0297    1.5209    0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9783    0.6624   -0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8458   -0.7657   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4274   -1.1178    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    0.6035   -1.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4056   -0.4921   -0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917    1.0960    0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3102   -2.2014    1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076   -1.8782    1.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4658   -0.4888   -1.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0817    1.6286    0.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4822    1.7462   -1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2161    2.5904    0.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861    1.3417    1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0433    0.9621   -0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7596    0.7761   -1.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2126   -1.4419   -0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -0.9217    0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357   -2.1810    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2939   -0.9951    1.4528 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