tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane

C18H29FOSi — CID 132967113

IUPACtert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H29FOSi/c1-18(2,3)21(4,5)20-17-9-7-6-8-16(17)14-10-12-15(19)13-11-14/h10-13,16-17H,6-9H2,1-5H3/t16-,17+/m0/s1
InChIKeyPPQUFIGQSPMVMC-DLBZAZTESA-N
MW308.51 g/mol
LogP5.87
Rot. Bonds3

About tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane (PubChem CID 132967113) has the molecular formula C18H29FOSi and a molecular weight of 308.51 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
PubChem CID132967113
Molecular FormulaC18H29FOSi
Molecular Weight308.51 g/mol
Exact Mass308.20
IUPAC Nametert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H29FOSi/c1-18(2,3)21(4,5)20-17-9-7-6-8-16(17)14-10-12-15(19)13-11-14/h10-13,16-17H,6-9H2,1-5H3/t16-,17+/m0/s1
InChIKeyPPQUFIGQSPMVMC-DLBZAZTESA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane (CID 132967113) is tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane?
The InChIKey is PPQUFIGQSPMVMC-DLBZAZTESA-N. The full InChI is InChI=1S/C18H29FOSi/c1-18(2,3)21(4,5)20-17-9-7-6-8-16(17)14-10-12-15(19)13-11-14/h10-13,16-17H,6-9H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane has a molecular weight of 308.51 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 132967113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).