tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane

C18H29FOSi — CID 54090403

IUPACtert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCCCC2)cc1F
InChIInChI=1S/C18H29FOSi/c1-18(2,3)21(4,5)20-17-12-11-15(13-16(17)19)14-9-7-6-8-10-14/h11-14H,6-10H2,1-5H3
InChIKeyDUINMBCCKLMLAB-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.26
Rot. Bonds3

About tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane

tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane (PubChem CID 54090403) has the molecular formula C18H29FOSi and a molecular weight of 308.51 g/mol. Its IUPAC name is tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane
PubChem CID54090403
Molecular FormulaC18H29FOSi
Molecular Weight308.51 g/mol
Exact Mass308.20
IUPAC Nametert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCCCC2)cc1F
InChIInChI=1S/C18H29FOSi/c1-18(2,3)21(4,5)20-17-12-11-15(13-16(17)19)14-9-7-6-8-10-14/h11-14H,6-10H2,1-5H3
InChIKeyDUINMBCCKLMLAB-UHFFFAOYSA-N
XLogP6.26
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 ≤ 56.26
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-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane (CID 54090403) is tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(C2CCCCC2)cc1F.
What is the InChIKey of tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane?
The InChIKey is DUINMBCCKLMLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FOSi/c1-18(2,3)21(4,5)20-17-12-11-15(13-16(17)19)14-9-7-6-8-10-14/h11-14H,6-10H2,1-5H3.
What are the key properties of tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane?
tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane has a molecular weight of 308.51 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane is sourced from PubChem (CID 54090403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).