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
    3.2877    1.1151   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630    0.4174   -0.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608   -0.8921   -0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9891   -1.5308   -0.8356 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6652   -1.5198   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890   -2.7854   -1.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.8236   -0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9198    0.2925   -1.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1863    1.5772   -0.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3230    1.2949    0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    0.2425    1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891   -0.3573    1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0998    1.9961    0.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778    0.4955    0.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991    1.4293   -1.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3787   -3.2988   -1.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926   -3.3278   -1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -1.5613   -0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1161    0.4948   -2.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8524    0.1000   -1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540    2.3366   -1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301    1.9227    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5808    2.2298    0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2036    1.0251   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9397    0.6003    2.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934   -0.5936    1.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799   -1.2566    1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2037    0.3773    1.2480 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