tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane

C22H39BO3Si — CID 166068216

IUPACtert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane
SMILESCC(C)OB(OC(C)C)c1ccc2c(c1)CCC(O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C22H39BO3Si/c1-16(2)24-23(25-17(3)4)20-12-10-19-15-21(13-11-18(19)14-20)26-27(8,9)22(5,6)7/h10,12,14,16-17,21H,11,13,15H2,1-9H3
InChIKeyNWWJTGONYOTDAY-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.11
Rot. Bonds7

About tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane

tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane (PubChem CID 166068216) has the molecular formula C22H39BO3Si and a molecular weight of 390.45 g/mol. Its IUPAC name is tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane
PubChem CID166068216
Molecular FormulaC22H39BO3Si
Molecular Weight390.45 g/mol
Exact Mass390.28
IUPAC Nametert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane
SMILESCC(C)OB(OC(C)C)c1ccc2c(c1)CCC(O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C22H39BO3Si/c1-16(2)24-23(25-17(3)4)20-12-10-19-15-21(13-11-18(19)14-20)26-27(8,9)22(5,6)7/h10,12,14,16-17,21H,11,13,15H2,1-9H3
InChIKeyNWWJTGONYOTDAY-UHFFFAOYSA-N
XLogP5.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane (CID 166068216) is tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane is CC(C)OB(OC(C)C)c1ccc2c(c1)CCC(O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane?
The InChIKey is NWWJTGONYOTDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39BO3Si/c1-16(2)24-23(25-17(3)4)20-12-10-19-15-21(13-11-18(19)14-20)26-27(8,9)22(5,6)7/h10,12,14,16-17,21H,11,13,15H2,1-9H3.
What are the key properties of tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane?
tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane has a molecular weight of 390.45 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-di(propan-2-yloxy)boranyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 166068216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).