CID 58946657

C6H15BCl3Si2 — CID 58946657

IUPAC—
SMILESCC[Si]([B][Si](Cl)(Cl)Cl)(CC)CC
InChIInChI=1S/C6H15BCl3Si2/c1-4-11(5-2,6-3)7-12(8,9)10/h4-6H2,1-3H3
InChIKeyQNQHHFALSUMBLQ-UHFFFAOYSA-N
MW260.53 g/mol
LogP3.85
Rot. Bonds5

About CID 58946657

CID 58946657 (PubChem CID 58946657) has the molecular formula C6H15BCl3Si2 and a molecular weight of 260.53 g/mol.

Molecular Properties

Compound NameCID 58946657
PubChem CID58946657
Molecular FormulaC6H15BCl3Si2
Molecular Weight260.53 g/mol
Exact Mass258.99
IUPAC Name—
SMILESCC[Si]([B][Si](Cl)(Cl)Cl)(CC)CC
InChIInChI=1S/C6H15BCl3Si2/c1-4-11(5-2,6-3)7-12(8,9)10/h4-6H2,1-3H3
InChIKeyQNQHHFALSUMBLQ-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58946657?
The IUPAC name of CID 58946657 (CID 58946657) is not available.
What is the SMILES notation for CID 58946657?
The canonical SMILES for CID 58946657 is CC[Si]([B][Si](Cl)(Cl)Cl)(CC)CC.
What is the InChIKey of CID 58946657?
The InChIKey is QNQHHFALSUMBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BCl3Si2/c1-4-11(5-2,6-3)7-12(8,9)10/h4-6H2,1-3H3.
What are the key properties of CID 58946657?
CID 58946657 has a molecular weight of 260.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58946657 is sourced from PubChem (CID 58946657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).