[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane

C29H43BOSi — CID 11662339

IUPAC[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane
SMILES[2H]C([2H])(CCCCB1C2CCCC1CCC2)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H43BOSi/c1-29(2,3)32(27-19-7-4-8-20-27,28-21-9-5-10-22-28)31-24-12-6-11-23-30-25-15-13-16-26(30)18-14-17-25/h4-5,7-10,19-22,25-26H,6,11-18,23-24H2,1-3H3/i24D2
InChIKeyDQQQSSUVKWGIPU-XRAPWQDJSA-N
MW448.57 g/mol
LogP7.34
Rot. Bonds9

About [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane

[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane (PubChem CID 11662339) has the molecular formula C29H43BOSi and a molecular weight of 448.57 g/mol. Its IUPAC name is [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane
PubChem CID11662339
Molecular FormulaC29H43BOSi
Molecular Weight448.57 g/mol
Exact Mass448.33
IUPAC Name[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane
SMILES[2H]C([2H])(CCCCB1C2CCCC1CCC2)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H43BOSi/c1-29(2,3)32(27-19-7-4-8-20-27,28-21-9-5-10-22-28)31-24-12-6-11-23-30-25-15-13-16-26(30)18-14-17-25/h4-5,7-10,19-22,25-26H,6,11-18,23-24H2,1-3H3/i24D2
InChIKeyDQQQSSUVKWGIPU-XRAPWQDJSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69058871
tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
CID 58800360
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684

Frequently Asked Questions

What is the IUPAC name of [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane (CID 11662339) is [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane is [2H]C([2H])(CCCCB1C2CCCC1CCC2)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane?
The InChIKey is DQQQSSUVKWGIPU-XRAPWQDJSA-N. The full InChI is InChI=1S/C29H43BOSi/c1-29(2,3)32(27-19-7-4-8-20-27,28-21-9-5-10-22-28)31-24-12-6-11-23-30-25-15-13-16-26(30)18-14-17-25/h4-5,7-10,19-22,25-26H,6,11-18,23-24H2,1-3H3/i24D2.
What are the key properties of [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane?
[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane has a molecular weight of 448.57 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dideuteriopentoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11662339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).