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
    3.7864    1.6555    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    0.9826    0.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2929   -0.1903   -0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2112   -0.6607   -1.2374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0223   -0.8959   -0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8912   -2.0048   -1.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131   -0.3621    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565   -1.3406    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4291   -0.9500    1.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345    0.5390    1.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413    1.0414   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5288    0.9992   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7734    2.2674   -0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    2.2744    0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5798    0.9010   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162   -2.6071   -1.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383   -2.3388   -1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -0.3780    1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8283   -2.3277    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5865   -1.3978   -0.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -1.2899    2.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252   -1.4631    0.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1335    1.0985    1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7338    0.7549    1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703    0.4491   -1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3674    2.1022   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3158    1.7891    0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356    1.3525   -0.9978 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