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
    4.7427   -0.0895   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.2748    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250   -0.1565   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864   -0.8636   -1.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1741    0.2472    0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321   -0.1052    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7978    1.1598   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730    1.0519   -0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7638   -0.3667   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3539   -0.7741    1.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751   -0.9188    1.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6804    0.2259    0.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7279   -0.7066   -0.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    0.8879    1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0277   -0.7281   -0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011    1.9820    0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503    1.4563   -1.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663    1.6617    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6287    1.4810   -1.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624   -0.3602   -0.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2914   -1.0227   -1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8443   -1.7157    1.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305    0.0720    1.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361   -2.0154    0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196   -0.6774    2.1363 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