[3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid

C18H30BFO4Si — CID 142800599

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1c(C2CCCCC2)ccc(OB(O)O)c1F
InChIInChI=1S/C18H30BFO4Si/c1-18(2,3)25(4,5)24-17-14(13-9-7-6-8-10-13)11-12-15(16(17)20)23-19(21)22/h11-13,21-22H,6-10H2,1-5H3
InChIKeyIXAHEVDVVZNMRR-UHFFFAOYSA-N
MW368.33 g/mol
LogP4.61
Rot. Bonds5

About [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid

[3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid (PubChem CID 142800599) has the molecular formula C18H30BFO4Si and a molecular weight of 368.33 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid
PubChem CID142800599
Molecular FormulaC18H30BFO4Si
Molecular Weight368.33 g/mol
Exact Mass368.20
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1c(C2CCCCC2)ccc(OB(O)O)c1F
InChIInChI=1S/C18H30BFO4Si/c1-18(2,3)25(4,5)24-17-14(13-9-7-6-8-10-13)11-12-15(16(17)20)23-19(21)22/h11-13,21-22H,6-10H2,1-5H3
InChIKeyIXAHEVDVVZNMRR-UHFFFAOYSA-N
XLogP4.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid (CID 142800599) is [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid is CC(C)(C)[Si](C)(C)Oc1c(C2CCCCC2)ccc(OB(O)O)c1F.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid?
The InChIKey is IXAHEVDVVZNMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BFO4Si/c1-18(2,3)25(4,5)24-17-14(13-9-7-6-8-10-13)11-12-15(16(17)20)23-19(21)22/h11-13,21-22H,6-10H2,1-5H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid?
[3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid has a molecular weight of 368.33 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-2-fluorophenoxy]boronic acid is sourced from PubChem (CID 142800599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).