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
    3.9935   -1.2984   -0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1607   -0.2075   -0.2767 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7960   -0.2772   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -1.3553   -0.3847 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409    0.9048    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6932    2.0298    0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4387    0.9166    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9287    0.0883    1.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9506   -0.9239    1.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657   -0.7652   -0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095    0.4957   -0.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9906    0.5200   -1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0171   -1.0366   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344   -2.1758   -0.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363   -1.5151   -1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906    2.0539    0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    2.9130    0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476    1.9685    0.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -0.4188    1.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    0.7495    2.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4777   -1.9512    1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661   -1.0128    2.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6112   -1.6109   -0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -0.7637    0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8585    1.4049   -0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9505    0.3743   -1.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -0.4501   -1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805    1.3431   -1.7569 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