butyl-chloro-diphenylsilane

C16H19ClSi — CID 12600819

IUPACbutyl-chloro-diphenylsilane
SMILESCCCC[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19ClSi/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyGTXRYQGMNAPQDP-UHFFFAOYSA-N
MW274.87 g/mol
LogP3.79
Rot. Bonds5

About butyl-chloro-diphenylsilane

butyl-chloro-diphenylsilane (PubChem CID 12600819) has the molecular formula C16H19ClSi and a molecular weight of 274.87 g/mol. Its IUPAC name is butyl-chloro-diphenylsilane.

Molecular Properties

Compound Namebutyl-chloro-diphenylsilane
PubChem CID12600819
Molecular FormulaC16H19ClSi
Molecular Weight274.87 g/mol
Exact Mass274.09
IUPAC Namebutyl-chloro-diphenylsilane
SMILESCCCC[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19ClSi/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyGTXRYQGMNAPQDP-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.87
LogP ≤ 53.79
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 butyl-chloro-diphenylsilane?
The IUPAC name of butyl-chloro-diphenylsilane (CID 12600819) is butyl-chloro-diphenylsilane.
What is the SMILES notation for butyl-chloro-diphenylsilane?
The canonical SMILES for butyl-chloro-diphenylsilane is CCCC[Si](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of butyl-chloro-diphenylsilane?
The InChIKey is GTXRYQGMNAPQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClSi/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3.
What are the key properties of butyl-chloro-diphenylsilane?
butyl-chloro-diphenylsilane has a molecular weight of 274.87 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-chloro-diphenylsilane is sourced from PubChem (CID 12600819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).