6-chlorohexyl-methyl-phenylsilane

C13H21ClSi — CID 57348270

IUPAC6-chlorohexyl-methyl-phenylsilane
SMILESC[SiH](CCCCCCCl)c1ccccc1
InChIInChI=1S/C13H21ClSi/c1-15(12-8-3-2-7-11-14)13-9-5-4-6-10-13/h4-6,9-10,15H,2-3,7-8,11-12H2,1H3
InChIKeyRXTGFAYPNXTOCI-UHFFFAOYSA-N
MW240.85 g/mol
LogP3.55
Rot. Bonds7

About 6-chlorohexyl-methyl-phenylsilane

6-chlorohexyl-methyl-phenylsilane (PubChem CID 57348270) has the molecular formula C13H21ClSi and a molecular weight of 240.85 g/mol. Its IUPAC name is 6-chlorohexyl-methyl-phenylsilane.

Molecular Properties

Compound Name6-chlorohexyl-methyl-phenylsilane
PubChem CID57348270
Molecular FormulaC13H21ClSi
Molecular Weight240.85 g/mol
Exact Mass240.11
IUPAC Name6-chlorohexyl-methyl-phenylsilane
SMILESC[SiH](CCCCCCCl)c1ccccc1
InChIInChI=1S/C13H21ClSi/c1-15(12-8-3-2-7-11-14)13-9-5-4-6-10-13/h4-6,9-10,15H,2-3,7-8,11-12H2,1H3
InChIKeyRXTGFAYPNXTOCI-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.85
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-chlorohexyl-methyl-phenylsilane?
The IUPAC name of 6-chlorohexyl-methyl-phenylsilane (CID 57348270) is 6-chlorohexyl-methyl-phenylsilane.
What is the SMILES notation for 6-chlorohexyl-methyl-phenylsilane?
The canonical SMILES for 6-chlorohexyl-methyl-phenylsilane is C[SiH](CCCCCCCl)c1ccccc1.
What is the InChIKey of 6-chlorohexyl-methyl-phenylsilane?
The InChIKey is RXTGFAYPNXTOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClSi/c1-15(12-8-3-2-7-11-14)13-9-5-4-6-10-13/h4-6,9-10,15H,2-3,7-8,11-12H2,1H3.
What are the key properties of 6-chlorohexyl-methyl-phenylsilane?
6-chlorohexyl-methyl-phenylsilane has a molecular weight of 240.85 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohexyl-methyl-phenylsilane is sourced from PubChem (CID 57348270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).