CID 163405947

C12H26BrSi2 — CID 163405947

IUPAC—
SMILESCCCC[Si]1CCC[Si](Br)(CCCC)C1
InChIInChI=1S/C12H26BrSi2/c1-3-5-8-14-9-7-11-15(13,12-14)10-6-4-2/h3-12H2,1-2H3
InChIKeyJYGWGFCWAKWMQB-UHFFFAOYSA-N
MW306.42 g/mol
LogP5.36
Rot. Bonds6

About CID 163405947

CID 163405947 (PubChem CID 163405947) has the molecular formula C12H26BrSi2 and a molecular weight of 306.42 g/mol.

Molecular Properties

Compound NameCID 163405947
PubChem CID163405947
Molecular FormulaC12H26BrSi2
Molecular Weight306.42 g/mol
Exact Mass305.08
IUPAC Name—
SMILESCCCC[Si]1CCC[Si](Br)(CCCC)C1
InChIInChI=1S/C12H26BrSi2/c1-3-5-8-14-9-7-11-15(13,12-14)10-6-4-2/h3-12H2,1-2H3
InChIKeyJYGWGFCWAKWMQB-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.42
LogP ≤ 55.36
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'}

Analyze CID 163405947 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 163405947?
The IUPAC name of CID 163405947 (CID 163405947) is not available.
What is the SMILES notation for CID 163405947?
The canonical SMILES for CID 163405947 is CCCC[Si]1CCC[Si](Br)(CCCC)C1.
What is the InChIKey of CID 163405947?
The InChIKey is JYGWGFCWAKWMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BrSi2/c1-3-5-8-14-9-7-11-15(13,12-14)10-6-4-2/h3-12H2,1-2H3.
What are the key properties of CID 163405947?
CID 163405947 has a molecular weight of 306.42 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163405947 is sourced from PubChem (CID 163405947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).