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
    4.6351    0.6508    0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7028   -0.2441    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3005    0.1864    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9895    1.4001    0.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2533   -0.7048   -0.1167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -0.2397   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -0.5097   -1.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253    0.3425   -1.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    0.3307   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1332   -0.0435    1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9067   -0.8704    0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3694    1.6849    0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861    0.3966    0.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8864   -1.3004   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241    0.8755    0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1328   -1.5891   -1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2033   -0.2797   -2.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619    0.0429   -2.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6982    1.3941   -1.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2631    1.3591   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7162   -0.3284   -0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8561   -0.6041    1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8649    0.8656    1.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1863   -1.9227    0.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3827   -0.8926    1.9567 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