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
    4.2675    0.9425   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3282   -0.0584    0.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9488    0.1557   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6322    1.2822   -0.4675 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9774   -0.8665    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271   -2.0124    0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4599   -0.6544    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8927   -0.5332   -1.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113   -0.5770   -1.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8672    0.6982   -0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3187    0.9335    0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9127    0.4921    1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    1.9544    0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5321    0.9098   -1.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2077    0.7254    0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4849   -2.1711    0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777   -2.8242    1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0104   -1.5601    0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745   -1.4123   -1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6050    0.4280   -1.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743   -1.4333   -0.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8710   -0.6524   -2.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9835    0.6488   -0.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6170    1.5363   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0156    0.5064    1.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3449    2.0470    0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8532    0.1650    2.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2002    1.3299    0.9566 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