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
    4.7446    0.0861    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.0575   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638    0.0477    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761    0.0661    1.5191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    0.0180   -0.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1129    0.0075    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7626   -1.2794   -0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2399   -1.3017   -0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595   -0.0567   -0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2986    1.2109   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8074    1.2597   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6617    0.1016    1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7485    0.0951   -0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554    0.0422   -1.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1040    0.0285    1.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4823   -2.0581    0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -1.7068   -1.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7344   -1.5332    0.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724   -2.1397   -0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9512   -0.0816   -0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8355   -0.1094   -1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710    2.0370   -0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7753    1.4440    0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804    2.0757    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416    1.6891   -1.1292 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