CID 136823492

C6H18BNSi2+ — CID 136823492

IUPAC—
SMILES[B][N+]([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C6H18BNSi2/c1-9(2,3)8(7)10(4,5)6/h1-6H3/q+1
InChIKeyDJGULNNWTYZGAH-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.88
Rot. Bonds2

About CID 136823492

CID 136823492 (PubChem CID 136823492) has the molecular formula C6H18BNSi2+ and a molecular weight of 171.20 g/mol.

Molecular Properties

Compound NameCID 136823492
PubChem CID136823492
Molecular FormulaC6H18BNSi2+
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name—
SMILES[B][N+]([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C6H18BNSi2/c1-9(2,3)8(7)10(4,5)6/h1-6H3/q+1
InChIKeyDJGULNNWTYZGAH-UHFFFAOYSA-N
XLogP1.88
TPSA5.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.88
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 CID 136823492?
The IUPAC name of CID 136823492 (CID 136823492) is not available.
What is the SMILES notation for CID 136823492?
The canonical SMILES for CID 136823492 is [B][N+]([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of CID 136823492?
The InChIKey is DJGULNNWTYZGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18BNSi2/c1-9(2,3)8(7)10(4,5)6/h1-6H3/q+1.
What are the key properties of CID 136823492?
CID 136823492 has a molecular weight of 171.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136823492 is sourced from PubChem (CID 136823492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).