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
    4.3315    0.2849   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778    0.7977   -0.2918 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -0.0297    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -1.2604    0.1155 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    0.4691    0.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5852    1.7634    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245   -0.4359    0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897   -1.5436    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828   -1.3483   -0.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2224    0.1210   -0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648    0.6583    0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713    0.2208    1.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2929   -0.1846   -1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7913   -0.3658    0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031    1.1859   -0.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3566    2.4528    0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3392    2.1994    0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1032   -0.9544    1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117   -1.5118   -0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5524   -2.5151    0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6835   -1.8114   -0.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758   -1.8715   -1.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1257    0.2216   -1.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3842    0.6932   -1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6032    1.7652    0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6203    0.3715    0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3388    1.0941    2.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399   -0.4664    2.1931 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