Monomers

Cyclohexyl acrylate

Identifiers

IUPAC name
cyclohexyl prop-2-enoate
InchI
InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2
InchI Key
KBLWLMPSVYBVDK-UHFFFAOYSA-N
SMILES
C=CC(=O)OC1CCCCC1
Canonical SMILES
C=CC(=O)OC1CCCCC1
Isomeric SMILES
C=CC(=O)OC1CCCCC1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H14O2
Heavy Atom Count
11
Molecular Weight
154.209
Exact Molecular Weight
154.0994
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.0483
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

 25 25  0  0  0  0  0  0  0  0999 V2000
    4.1045   -0.0447   -0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556    0.8568    0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2474    1.0329    0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8048    1.8820    1.5072 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182    0.2350    0.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667    0.3529    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183   -0.8757    1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204   -0.5891    1.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984   -0.8487   -0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9051   -0.2493   -1.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    0.7200   -0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3981   -0.6936   -0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1361   -0.1884   -0.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    1.4759    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1787    1.1686    1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683   -1.7989    0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2257   -0.8914    2.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6023   -1.2655    1.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2962    0.4758    1.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7563   -1.9733   -0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7599   -0.5028   -0.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6181    0.2537   -2.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597   -1.0798   -1.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    1.7206   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1449    0.8269   -1.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers