tert-butyl-cycloheptyloxy-diphenylsilane

C23H32OSi — CID 90682026

IUPACtert-butyl-cycloheptyloxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32OSi/c1-23(2,3)25(21-16-10-6-11-17-21,22-18-12-7-13-19-22)24-20-14-8-4-5-9-15-20/h6-7,10-13,16-20H,4-5,8-9,14-15H2,1-3H3
InChIKeyUGFVIVHYPGUZJG-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.29
Rot. Bonds4

About tert-butyl-cycloheptyloxy-diphenylsilane

tert-butyl-cycloheptyloxy-diphenylsilane (PubChem CID 90682026) has the molecular formula C23H32OSi and a molecular weight of 352.59 g/mol. Its IUPAC name is tert-butyl-cycloheptyloxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-cycloheptyloxy-diphenylsilane
PubChem CID90682026
Molecular FormulaC23H32OSi
Molecular Weight352.59 g/mol
Exact Mass352.22
IUPAC Nametert-butyl-cycloheptyloxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1CCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32OSi/c1-23(2,3)25(21-16-10-6-11-17-21,22-18-12-7-13-19-22)24-20-14-8-4-5-9-15-20/h6-7,10-13,16-20H,4-5,8-9,14-15H2,1-3H3
InChIKeyUGFVIVHYPGUZJG-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-cycloheptyloxy-diphenylsilane?
The IUPAC name of tert-butyl-cycloheptyloxy-diphenylsilane (CID 90682026) is tert-butyl-cycloheptyloxy-diphenylsilane.
What is the SMILES notation for tert-butyl-cycloheptyloxy-diphenylsilane?
The canonical SMILES for tert-butyl-cycloheptyloxy-diphenylsilane is CC(C)(C)[Si](OC1CCCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-cycloheptyloxy-diphenylsilane?
The InChIKey is UGFVIVHYPGUZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32OSi/c1-23(2,3)25(21-16-10-6-11-17-21,22-18-12-7-13-19-22)24-20-14-8-4-5-9-15-20/h6-7,10-13,16-20H,4-5,8-9,14-15H2,1-3H3.
What are the key properties of tert-butyl-cycloheptyloxy-diphenylsilane?
tert-butyl-cycloheptyloxy-diphenylsilane has a molecular weight of 352.59 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cycloheptyloxy-diphenylsilane is sourced from PubChem (CID 90682026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).