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
    3.3601    1.7684   -0.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    0.9736   -0.3587 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -0.3325    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761   -0.8697    0.0937 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143   -1.0265    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2356   -2.2843    0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1806   -0.3385    0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278    0.2166   -1.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6178    1.2510   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4872    0.8826    0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6471   -0.6074    0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3257   -1.2526    0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9484    2.7394   -1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748    1.2721   -1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9395    2.0040    0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299   -2.9273    1.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -2.7295    0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915    0.5228    1.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179    0.7094   -1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -0.5590   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1033    2.2248   -0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2646    1.3223   -1.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4712    1.3980    0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0262    1.2503    1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3853   -0.9201    1.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054   -1.0268   -0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2857   -1.4387    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2144   -2.2226    0.2531 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