CID 21332552

C16H17BrSi — CID 21332552

IUPAC—
SMILESCCC(Br)Cc1cccc([Si]c2ccccc2)c1
InChIInChI=1S/C16H17BrSi/c1-2-14(17)11-13-7-6-10-16(12-13)18-15-8-4-3-5-9-15/h3-10,12,14H,2,11H2,1H3
InChIKeySSDATILMYXJPQK-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.06
Rot. Bonds5

About CID 21332552

CID 21332552 (PubChem CID 21332552) has the molecular formula C16H17BrSi and a molecular weight of 317.30 g/mol.

Molecular Properties

Compound NameCID 21332552
PubChem CID21332552
Molecular FormulaC16H17BrSi
Molecular Weight317.30 g/mol
Exact Mass316.03
IUPAC Name—
SMILESCCC(Br)Cc1cccc([Si]c2ccccc2)c1
InChIInChI=1S/C16H17BrSi/c1-2-14(17)11-13-7-6-10-16(12-13)18-15-8-4-3-5-9-15/h3-10,12,14H,2,11H2,1H3
InChIKeySSDATILMYXJPQK-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21332552?
The IUPAC name of CID 21332552 (CID 21332552) is not available.
What is the SMILES notation for CID 21332552?
The canonical SMILES for CID 21332552 is CCC(Br)Cc1cccc([Si]c2ccccc2)c1.
What is the InChIKey of CID 21332552?
The InChIKey is SSDATILMYXJPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrSi/c1-2-14(17)11-13-7-6-10-16(12-13)18-15-8-4-3-5-9-15/h3-10,12,14H,2,11H2,1H3.
What are the key properties of CID 21332552?
CID 21332552 has a molecular weight of 317.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21332552 is sourced from PubChem (CID 21332552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).