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
    3.9575    1.5143   -0.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2061    0.3119   -0.5112 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8441    0.2936   -0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2576    1.4269   -0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0682   -0.9537   -0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641   -2.0763   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3931   -0.9344   -0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.2694    1.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552   -0.3896    1.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    0.5203    0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738    0.8157   -0.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0521   -0.3069   -1.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662    2.3969   -0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956    1.5896   -1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9200    1.4558   -0.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   -2.9993   -0.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -2.1157   -0.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7403   -1.9853    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485   -0.8390    2.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5033    0.7636    1.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865   -1.4427    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7739   -0.1693    2.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1971    1.5011    0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8792    0.0598   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5963    1.0148   -1.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4415    1.7921   -0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6223   -1.0657   -1.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2735    0.0909   -1.9442 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