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
    4.6625   -1.3773   -0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3871   -1.2777   -1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218   -0.8868   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439   -0.6535    1.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0643   -0.7640   -0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1873   -0.3785    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8399   -1.4513    1.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430   -1.8011   -0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6677   -2.8417    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027   -0.5369   -0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218    0.5727   -0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003    0.8508    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2409    2.0749    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6719    3.2251   -0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031    2.4237    1.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0607   -1.1831    0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3696   -1.6682   -1.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474   -1.4858   -2.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7584   -0.2188    1.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4010   -2.3365    1.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5535   -0.9951    1.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0428   -2.1191   -1.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3891   -2.9438   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2165   -3.8364    0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642   -2.4705    1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0516   -0.7030   -1.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0422   -0.2562    0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9845    1.5005   -1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7597    0.2747   -1.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    1.0106    1.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8853    1.8995   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216    4.2070    0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9392    3.2659   -1.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6363    3.1724    0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7537    2.0518    2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310    3.5406    1.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682    2.1152    1.1160 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