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
    3.9297    0.7541    1.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774    0.4214    0.8103 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3087   -0.6327   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2559   -1.2462   -0.6079 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9314   -1.0356   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7150   -2.0332   -1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2236   -0.3593    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5040   -1.0794   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5846   -0.3806    0.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123    0.9619    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6339    1.4342   -0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3096    1.0986   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872    1.5305    0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162    1.1751    2.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5600   -0.1565    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630   -2.5266   -1.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2789   -2.3691   -1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1179   -0.4381    1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980   -2.1317    0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7621   -1.0092   -1.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5012   -0.9753    0.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240   -0.2443    1.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1346    1.6639    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6640    0.8384   -0.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6861    2.5430   -0.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6953    1.0197   -1.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926    1.7510    0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4782    1.4260   -0.7763 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