CID 140872014

C16H11BrSi — CID 140872014

IUPAC—
SMILESBrc1cccc2c([Si]c3ccccc3)cccc12
InChIInChI=1S/C16H11BrSi/c17-15-10-4-9-14-13(15)8-5-11-16(14)18-12-6-2-1-3-7-12/h1-11H
InChIKeyPDLSVOKPZBTTJC-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.26
Rot. Bonds2

About CID 140872014

CID 140872014 (PubChem CID 140872014) has the molecular formula C16H11BrSi and a molecular weight of 311.25 g/mol.

Molecular Properties

Compound NameCID 140872014
PubChem CID140872014
Molecular FormulaC16H11BrSi
Molecular Weight311.25 g/mol
Exact Mass309.98
IUPAC Name—
SMILESBrc1cccc2c([Si]c3ccccc3)cccc12
InChIInChI=1S/C16H11BrSi/c17-15-10-4-9-14-13(15)8-5-11-16(14)18-12-6-2-1-3-7-12/h1-11H
InChIKeyPDLSVOKPZBTTJC-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 140872014?
The IUPAC name of CID 140872014 (CID 140872014) is not available.
What is the SMILES notation for CID 140872014?
The canonical SMILES for CID 140872014 is Brc1cccc2c([Si]c3ccccc3)cccc12.
What is the InChIKey of CID 140872014?
The InChIKey is PDLSVOKPZBTTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrSi/c17-15-10-4-9-14-13(15)8-5-11-16(14)18-12-6-2-1-3-7-12/h1-11H.
What are the key properties of CID 140872014?
CID 140872014 has a molecular weight of 311.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140872014 is sourced from PubChem (CID 140872014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).