tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane

C13H27FOSi — CID 161066667

IUPACtert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane
SMILESC[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C13H27FOSi/c1-10-7-8-12(11(14)9-10)15-16(5,6)13(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11-,12+/m0/s1
InChIKeyUECMRIMVMNIUPL-SDDRHHMPSA-N
MW246.44 g/mol
LogP4.53
Rot. Bonds2

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

tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane (PubChem CID 161066667) has the molecular formula C13H27FOSi and a molecular weight of 246.44 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane
PubChem CID161066667
Molecular FormulaC13H27FOSi
Molecular Weight246.44 g/mol
Exact Mass246.18
IUPAC Nametert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane
SMILESC[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C13H27FOSi/c1-10-7-8-12(11(14)9-10)15-16(5,6)13(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11-,12+/m0/s1
InChIKeyUECMRIMVMNIUPL-SDDRHHMPSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cis-tert-butyl((4-fluorocyclohexyl)oxy)dimethylsilane
CID 134970123
Silane, trimethyl[(4-methylcyclohexyl)oxy]-, trans-
CID 520561
Ethyl 5-(sec-butylsulfanyl)-3-(4-chlorophenyl)-4-cyano-2-thiophenecarboxylate
CID 529215
Tert-butyl-(2-fluorocyclohexyl)oxy-dimethylsilane
CID 123407639
Tert-butyl-[4-[(3-fluorocyclohexyl)methyl]cyclohexyl]oxy-dimethylsilane
CID 140449683
tert-butyl-[(1R,2S)-2-fluorocyclohexyl]oxy-dimethylsilane
CID 160894551
tert-butyl-dimethyl-[(2S,3R,5S,6R)-2,3,5,6-tetrafluoro-4-methylcyclohexyl]oxysilane
CID 162057171
tert-butyl-[(2S)-2-fluorocyclohexyl]oxy-dimethylsilane
CID 174006817
Cyclohexanol, 2-methyl, DMTBS
CID 529214
2-Methylcyclohexyl trimethylsilyl ether
CID 6432411
Silane, diethylpropoxy(trans-4-methylcyclohexyloxy)-
CID 91714755
trans-4-Methylcyclohexanol, bromomethyldimethylsilyl ether
CID 91725781

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane (CID 161066667) is tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane is C[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](F)C1.
What is the InChIKey of tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane?
The InChIKey is UECMRIMVMNIUPL-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H27FOSi/c1-10-7-8-12(11(14)9-10)15-16(5,6)13(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11-,12+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane has a molecular weight of 246.44 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S,4S)-2-fluoro-4-methylcyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 161066667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).