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
   -4.5259    0.4171    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4191   -0.4588    0.2896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    0.1061    0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0765    1.3594    0.2978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9427   -0.7390    0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0776   -2.0347    0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930   -0.1316    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4970   -1.1683    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8369   -0.5024    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8440    0.9588    0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    1.4893   -0.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6097    0.6679   -0.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3887   -0.1042    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8791    0.6124   -0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2732    1.3491    0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0551   -2.4757    0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -2.6697    0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    0.5267    1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335   -1.7890    1.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4182   -1.8470   -0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5041   -1.0416   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -0.7116    1.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7011    1.5087    1.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.2553   -0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3187    1.5905   -1.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456    2.5247   -0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2732    1.2959   -1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7168    0.0118   -1.7775 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