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
    4.4995   -0.9812    0.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745   -0.0073    0.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427   -0.4056    0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256   -1.6391    0.3185 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    0.5507   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794    1.8248   -0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    0.0401   -0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2314    1.2148   -0.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663    0.8312   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1688   -0.2403    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1695   -1.2353    0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8128   -0.6564    1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870   -0.6293    0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2286   -1.9591    0.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7914   -0.9920    1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624    2.6090   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4075    2.1210   -0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318   -0.6345   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1003    1.9308    0.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8684    1.7271   -1.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8170    0.6325   -1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2761    1.7625   -0.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9492   -0.8209   -0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7303    0.1559    1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5275   -1.6760    1.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280   -2.1034    0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8215    0.0793    1.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573   -1.4991    1.3299 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