9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane

C14H32BNSi2 — CID 102203884

IUPAC9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane
SMILESC[Si](C)(C)N[Si](C)(C)CB1C2CCCC1CCC2
InChIInChI=1S/C14H32BNSi2/c1-17(2,3)16-18(4,5)12-15-13-8-6-9-14(15)11-7-10-13/h13-14,16H,6-12H2,1-5H3
InChIKeyMVKJSUQOMLHMES-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.76
Rot. Bonds4

About 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane

9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane (PubChem CID 102203884) has the molecular formula C14H32BNSi2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane
PubChem CID102203884
Molecular FormulaC14H32BNSi2
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane
SMILESC[Si](C)(C)N[Si](C)(C)CB1C2CCCC1CCC2
InChIInChI=1S/C14H32BNSi2/c1-17(2,3)16-18(4,5)12-15-13-8-6-9-14(15)11-7-10-13/h13-14,16H,6-12H2,1-5H3
InChIKeyMVKJSUQOMLHMES-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
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 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane?
The IUPAC name of 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane (CID 102203884) is 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane?
The canonical SMILES for 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane is C[Si](C)(C)N[Si](C)(C)CB1C2CCCC1CCC2.
What is the InChIKey of 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane?
The InChIKey is MVKJSUQOMLHMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32BNSi2/c1-17(2,3)16-18(4,5)12-15-13-8-6-9-14(15)11-7-10-13/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane?
9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane has a molecular weight of 281.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane is sourced from PubChem (CID 102203884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).