CID 175460731

C9H17BNSi — CID 175460731

IUPAC—
SMILESC.Cc1ccccc1C.N.[B].[Si]
InChIInChI=1S/C8H10.CH4.B.H3N.Si/c1-7-5-3-4-6-8(7)2;;;;/h3-6H,1-2H3;1H4;;1H3;
InChIKeyTUINBZBZFHZQNC-UHFFFAOYSA-N
MW178.14 g/mol
LogP2.34
Rot. Bonds

About CID 175460731

CID 175460731 (PubChem CID 175460731) has the molecular formula C9H17BNSi and a molecular weight of 178.14 g/mol.

Molecular Properties

Compound NameCID 175460731
PubChem CID175460731
Molecular FormulaC9H17BNSi
Molecular Weight178.14 g/mol
Exact Mass178.12
IUPAC Name—
SMILESC.Cc1ccccc1C.N.[B].[Si]
InChIInChI=1S/C8H10.CH4.B.H3N.Si/c1-7-5-3-4-6-8(7)2;;;;/h3-6H,1-2H3;1H4;;1H3;
InChIKeyTUINBZBZFHZQNC-UHFFFAOYSA-N
XLogP2.34
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175460731?
The IUPAC name of CID 175460731 (CID 175460731) is not available.
What is the SMILES notation for CID 175460731?
The canonical SMILES for CID 175460731 is C.Cc1ccccc1C.N.[B].[Si].
What is the InChIKey of CID 175460731?
The InChIKey is TUINBZBZFHZQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.CH4.B.H3N.Si/c1-7-5-3-4-6-8(7)2;;;;/h3-6H,1-2H3;1H4;;1H3;.
What are the key properties of CID 175460731?
CID 175460731 has a molecular weight of 178.14 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175460731 is sourced from PubChem (CID 175460731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).