Chemical : (1R,2S)-2-(Trimethylstannyl)cyclohexan-1-ol
Casrn : 64871-30-3 |
MolName : (1R,2S)-2-(Trimethylstannyl)cyclohexan-1-ol |
MolecularFormula : C9H20OSn |
Smiles : C[Sn](C)(C)[C@@H](CCCC1)[C@@H]1O |
InChI : InChI=1S/C6H11O.3CH3.Sn/c7-6-4-2-1-3-5-6;;;;/h4,6-7H,1-3,5H2;3*1H3;/t6-;;;;/m0..../s1 |
InChIK : XGEBNUQNOOJANZ-MAJYTBHHSA-N |
CanonicalSyTyLFy : af0ab58293baad0 |
TotalMolweight : 262.967 |
Molweight : 262.967 |
MonoisotopicMass : 264.053615 |
CLogP : 2.948 |
CLogS : -2.051 |
H Acceptors : 1 |
H Donors : 1 |
TotalSurfaceArea : 136.67 |
Relative PSA : 0.095851 |
PolarSurfaceArea : 20.23 |
Druglikeness : -10.418 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : low |
Nasty Functions : unwanted atom |
Shape Index : 0.54545 |
Molecula Flexibility : 0.52251 |
Molecular Complexity : 0.65917 |
Fragments : 1 |
Non HAtoms : 11 |
NonCHAtoms : 2 |
Metal Atoms : 1 |
Electronegative Atoms : 1 |
StereoCenters : 2 |
Rotatable Bond : 1 |
Rings Closures : 1 |
Small Rings : 1 |
Sp3Atoms : 10 |
Symmetricatoms : 2 |
StereoCon : this enantiomer |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 |
| 1000339-24-1 | none | none | none | C7H4NOF | 137.113 | -7.3916 |
| 1000339-13-8 | low | none | low | C7H10NO4ClS | 239.678 | -21.883 |
| 1000-82-4 | low | high | high | C2H6N2O2 | 90.0816 | 0.41759 |
| 1000025-92-2 | none | none | none | C20H16N2O2 | 316.359 | -6.3825 |
| 100-83-4 | high | none | low | C7H6O2 | 122.123 | -4.1407 |
| 100-82-3 | none | none | none | C7H8NF | 125.146 | -3.4112 |
| 100-38-9 | none | none | high | C6H15NS | 133.258 | 0.17671 |
| 1000-90-4 | none | none | none | Zn.C4H7OS2.C4H7OS2 | 135.231 | -2.7683 |
| 100-85-6 | none | none | none | HO.C10H16N | 150.244 | -2.6575 |
| 100-81-2 | none | none | none | C8H11N | 121.182 | -2.1005 |
| 1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 |
| 100-79-8 | none | low | none | C6H12O3 | 132.158 | -9.8672 |
| 100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
| 100-77-6 | none | none | none | C6H4N2Cl.Cl | 139.565 | -4.1248 |
| 100004-80-6 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
| 100-32-3 | none | none | none | C12H8N2O4S2 | 308.338 | -7.3436 |
| 1000-30-2 | none | none | high | C9H16O | 140.225 | -7.4662 |
| 100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
| 1000303-67-2 | none | none | none | C6H8N2O | 124.143 | 2.717 |
| 1000339-29-6 | none | none | none | C14H15N2OBr | 307.19 | -5.8756 |
| 1000339-28-5 | none | none | none | C14H8N2OBrCl | 335.588 | -0.59356 |
| 10001-30-6 | none | none | none | C17H14O4 | 282.294 | -0.8408 |
| 10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 |
| 1000-41-5 | none | none | low | C10H18O | 154.252 | -9.05 |
| 100-76-5 | none | none | high | C7H13N | 111.187 | 3.5517 |
| 100-06-1 | none | none | none | C9H10O2 | 150.176 | -1.6836 |
| 100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
| 100-86-7 | none | none | none | C10H14O | 150.22 | -2.4187 |
| 1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 |
| 100004-93-1 | none | high | none | C16H11NO2 | 249.268 | -1.5746 |
| 100-55-0 | none | none | none | C6H7NO | 109.128 | -1.9045 |
| 100005-01-4 | none | none | high | C8H21BrSSi2 | 285.397 | -52.815 |
| 100-56-1 | high | low | low | C6H5ClHg | 313.149 | -2.3575 |
| 1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 |
| 10003-69-7 | none | none | none | C10H14O8S4 | 390.477 | 0.2775 |
| 1000166-63-1 | none | high | none | C20H23N8O2Br | 487.361 | -0.90793 |
| 100-75-4 | high | high | high | C5H10N2O | 114.147 | -0.86877 |
| 100-44-7 | high | high | none | C7H7Cl | 126.586 | -2.365 |
| 1000-00-6 | none | none | high | C10H26OSi2 | 218.487 | -62.76 |
| 1000339-52-5 | none | none | none | C7H3N2O2F | 166.111 | -12.761 |
| 100-54-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
| 1000339-26-3 | none | none | none | C14H7N2OBrCl2 | 370.033 | -0.59356 |
| 1000339-30-9 | none | none | none | C8H10N3Cl | 183.641 | 2.1 |
| 1000018-24-5 | none | none | none | C12H18N4O3 | 266.3 | -0.33651 |
| 100007-57-6 | none | none | none | C72H113N19O24S6 | 1821.19 | -13.821 |
| 10000-20-1 | none | low | high | C12H32N2Si2 | 260.572 | -64.51 |
| 100-00-5 | none | none | none | C6H4NO2Cl | 157.556 | -7.4592 |
| 100007-54-3 | none | none | none | C28H30O13 | 574.533 | -1.9839 |
| 100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
| 1000017-94-6 | none | none | none | C8H5N2O2Cl | 196.593 | 2.9136 |
| 100-51-6 | high | high | high | C7H8O | 108.14 | -2.2456 |
| 1000279-69-5 | none | none | none | C20H19N2O3ClS | 402.901 | 5.7907 |
| 1000198-76-4 | none | none | none | C11H12NF3 | 215.217 | -5.8988 |
| 100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 |
| 1000160-75-7 | none | none | low | C14H17O2BS | 260.164 | -20.35 |
| 100-41-4 | high | high | high | C8H10 | 106.167 | -2.68 |
| 10002-37-6 | none | none | none | C9H16N2O | 168.239 | -3.8085 |
| 1000-77-7 | high | high | none | HCl.C6H15NO6S2 | 261.318 | 1.5333 |
| 100009-88-9 | none | none | none | C18H45N7 | 359.604 | -4.1108 |