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
    4.4661    0.2764    0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929    0.6316   -0.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803   -0.0335    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994   -0.9409    0.9727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585    0.3379   -0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9357    1.3000   -1.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.4274   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905   -0.2167   -1.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4365    0.8786   -0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724    1.0213    0.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1957   -0.2574    1.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6892   -0.2374    1.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2324    1.0566    0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165    0.1917    1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8961   -0.6798    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8678    1.7967   -1.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0649    1.5858   -2.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607   -1.5141   -0.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267   -0.0234   -2.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0895   -1.1732   -1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1857    1.8610   -1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4421    0.6198   -1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7288    1.2521    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0326    1.8363    0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5635   -1.1605    0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -0.2464    2.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2804   -1.0396    1.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2834    0.7672    1.4469 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