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
   -1.7089    3.4366    0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2238    2.1466    0.4034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675    1.4372   -0.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5127    1.9460   -1.4795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1461    0.0939   -0.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5765   -0.5689   -1.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596   -0.4478    0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2089   -1.8754   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7479   -2.3596    1.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136   -1.4479    1.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2263   -0.3893    0.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0807    0.3750    0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6671    3.4362    1.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9313    3.9920    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    3.9515   -0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2004   -1.5508   -2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930   -0.1209   -2.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582   -0.3734    1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6144   -2.5318   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626   -1.9754   -0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -2.3504    1.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458   -3.3852    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7131   -2.0140    1.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179   -0.8966    2.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420    0.3040    1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440   -0.9152   -0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906    1.2399    0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    0.8436   -0.8816 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