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
    4.2574   -1.2025   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2346   -0.2566   -0.5532 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698   -0.4416    0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8768   -1.4225    0.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638    0.5465    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1626    1.5732   -0.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2676    0.3196    0.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8512   -1.0362    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3360   -1.0397    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793    0.0253   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    1.0849   -0.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2417    1.4241    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010   -0.9995   -1.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8156   -2.2061   -0.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7408   -1.0437    0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0868    1.6805   -1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105    2.3161   -0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115    0.3283    1.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131   -1.7462    1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3867   -1.4013   -0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6450   -2.0496    0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7066   -1.0436    1.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4977   -0.3411   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7386    0.5430    0.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1712    0.6262   -1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4295    1.9582   -1.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8427    2.4313    0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0527    1.3730    1.3902 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