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
    4.5798    0.4894    0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4634    0.3301   -0.0696 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1929    0.0242    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952   -0.1011    1.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429   -0.1427   -0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334   -0.0143   -1.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2775   -0.4681    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054   -0.7332   -0.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671   -1.1999   -0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1169   -0.0701    0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433    1.0674    0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656    0.5743    1.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5204    0.1768    0.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6563    1.5823    1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3740   -0.0531    1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.2215   -2.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2860   -0.1370   -2.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2242   -1.4389    0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5364    0.1691   -1.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9320   -1.5643   -1.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3376   -2.0844    0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106   -1.5219   -1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4219   -0.4868    1.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0002    0.3515    0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964    1.7241   -0.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5161    1.6650    1.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8036    0.2021    2.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0770    1.4378    1.0819 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