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
    3.6412   -0.9332    1.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3425   -0.7724    0.9591 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2317   -0.6543   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2641   -0.6934   -1.1225 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428   -0.4841   -1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9314   -0.3798   -2.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870   -0.4332   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699   -0.2718   -1.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7715   -0.1562   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5876    0.2480    1.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994    1.3130    1.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1526    0.7290    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2211   -1.5354    0.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525    0.0312    1.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5260   -1.4822    2.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0120   -0.2541   -2.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8678   -0.4195   -2.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -1.3985    0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966   -1.1461   -1.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753    0.6651   -1.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2578   -1.1723   -0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5045    0.4992   -0.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3473   -0.6198    1.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5269    0.7646    1.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5139    1.7765    2.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642    2.0589    0.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2962    0.3414    1.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    1.5240    0.3130 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