Monomers

2-Propenoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester

Identifiers

IUPAC name
(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enoate
InchI
InChI=1S/C13H22O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,1,6-8H2,2-4H3
InchI Key
XJBRSZAYOKVFRH-UHFFFAOYSA-N
SMILES
C=CC(=O)OC1CC(C)CCC1C(C)C
Canonical SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Isomeric SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C13H22O2
Heavy Atom Count
15
Molecular Weight
210.317
Exact Molecular Weight
210.162
Valence Electrons
86
Radical Electrons
0
tPSA
26.3
MolLogP
3.1764
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

 37 37  0  0  0  0  0  0  0  0999 V2000
    4.3471    0.4587   -1.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657    0.0342    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8459   -0.2553    0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6870   -0.6613    1.8893 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6803   -0.1080   -0.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4404   -0.3928    0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0918   -1.6039   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819   -2.0004    0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8619   -3.3634    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3701   -0.9058    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9230    0.3072    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5305    0.7450    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068    1.5491   -0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788    2.2003   -1.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6360    2.6474   -0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3164    0.6783   -1.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5013    0.6031   -1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -0.1067    0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485   -0.7422    1.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221   -1.2777   -1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910   -2.3889   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260   -1.9886    1.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8482   -3.5286   -1.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1640   -4.1059    0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8521   -3.5222    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3935   -1.1431    0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3546   -0.6713   -0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241    0.0378    1.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558    1.1063    0.6954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2023    1.4262    1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9487    0.9209   -1.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3978    3.0699   -1.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    2.6434   -0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    1.5519   -1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6222    2.3243   -0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6685    2.8803    0.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2827    3.5818   -1.0343 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
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 12  6  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
  9 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers