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
    4.5702   -0.0110    0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631    0.0822   -0.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1737    0.2336    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.2882    1.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252    0.3315   -0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2482    0.2706   -1.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430    0.4945   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -0.7528    0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1010   -0.7294    1.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1012   -0.5500    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7421    0.6937   -0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3428    0.5720   -1.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910   -0.4853    0.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2890   -0.6103    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120    1.0007    1.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330    0.1528   -2.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4106    0.3416   -2.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3673    1.3584    0.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5607   -1.6077    0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0281   -0.8619    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2372    0.0065    2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3005   -1.7268    1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0996   -0.4472    0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0433   -1.4689   -0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8847    1.5572    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171    0.8205   -1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1657    1.4289   -1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -0.3816   -1.7325 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