tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane

C22H37FOSi — CID 59188213

IUPACtert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
SMILESCC[C@H]1CCC(O[Si](C)(C)C(C)(C)C)C(c2ccc(F)cc2)[C@@H]1CC
InChIInChI=1S/C22H37FOSi/c1-8-16-12-15-20(24-25(6,7)22(3,4)5)21(19(16)9-2)17-10-13-18(23)14-11-17/h10-11,13-14,16,19-21H,8-9,12,15H2,1-7H3/t16-,19+,20?,21?/m0/s1
InChIKeyKXHMDNQVSLATRS-SMXDXGFJSA-N
MW364.62 g/mol
LogP7.15
Rot. Bonds5

About tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane

tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane (PubChem CID 59188213) has the molecular formula C22H37FOSi and a molecular weight of 364.62 g/mol. Its IUPAC name is tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
PubChem CID59188213
Molecular FormulaC22H37FOSi
Molecular Weight364.62 g/mol
Exact Mass364.26
IUPAC Nametert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
SMILESCC[C@H]1CCC(O[Si](C)(C)C(C)(C)C)C(c2ccc(F)cc2)[C@@H]1CC
InChIInChI=1S/C22H37FOSi/c1-8-16-12-15-20(24-25(6,7)22(3,4)5)21(19(16)9-2)17-10-13-18(23)14-11-17/h10-11,13-14,16,19-21H,8-9,12,15H2,1-7H3/t16-,19+,20?,21?/m0/s1
InChIKeyKXHMDNQVSLATRS-SMXDXGFJSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 57.15
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-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane (CID 59188213) is tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane is CC[C@H]1CCC(O[Si](C)(C)C(C)(C)C)C(c2ccc(F)cc2)[C@@H]1CC.
What is the InChIKey of tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane?
The InChIKey is KXHMDNQVSLATRS-SMXDXGFJSA-N. The full InChI is InChI=1S/C22H37FOSi/c1-8-16-12-15-20(24-25(6,7)22(3,4)5)21(19(16)9-2)17-10-13-18(23)14-11-17/h10-11,13-14,16,19-21H,8-9,12,15H2,1-7H3/t16-,19+,20?,21?/m0/s1.
What are the key properties of tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane has a molecular weight of 364.62 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4S)-3,4-diethyl-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 59188213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).