(6S)-6-tert-butyl-2,2-diphenyloxasilinane

C20H26OSi — CID 70967251

IUPAC(6S)-6-tert-butyl-2,2-diphenyloxasilinane
SMILESCC(C)(C)[C@@H]1CCC[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C20H26OSi/c1-20(2,3)19-15-10-16-22(21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19H,10,15-16H2,1-3H3/t19-/m0/s1
InChIKeyYOXUNFOKCDGVJC-IBGZPJMESA-N
MW310.51 g/mol
LogP3.97
Rot. Bonds2

About (6S)-6-tert-butyl-2,2-diphenyloxasilinane

(6S)-6-tert-butyl-2,2-diphenyloxasilinane (PubChem CID 70967251) has the molecular formula C20H26OSi and a molecular weight of 310.51 g/mol. Its IUPAC name is (6S)-6-tert-butyl-2,2-diphenyloxasilinane.

Molecular Properties

Compound Name(6S)-6-tert-butyl-2,2-diphenyloxasilinane
PubChem CID70967251
Molecular FormulaC20H26OSi
Molecular Weight310.51 g/mol
Exact Mass310.18
IUPAC Name(6S)-6-tert-butyl-2,2-diphenyloxasilinane
SMILESCC(C)(C)[C@@H]1CCC[Si](c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C20H26OSi/c1-20(2,3)19-15-10-16-22(21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19H,10,15-16H2,1-3H3/t19-/m0/s1
InChIKeyYOXUNFOKCDGVJC-IBGZPJMESA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.97
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 (6S)-6-tert-butyl-2,2-diphenyloxasilinane?
The IUPAC name of (6S)-6-tert-butyl-2,2-diphenyloxasilinane (CID 70967251) is (6S)-6-tert-butyl-2,2-diphenyloxasilinane.
What is the SMILES notation for (6S)-6-tert-butyl-2,2-diphenyloxasilinane?
The canonical SMILES for (6S)-6-tert-butyl-2,2-diphenyloxasilinane is CC(C)(C)[C@@H]1CCC[Si](c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of (6S)-6-tert-butyl-2,2-diphenyloxasilinane?
The InChIKey is YOXUNFOKCDGVJC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26OSi/c1-20(2,3)19-15-10-16-22(21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19H,10,15-16H2,1-3H3/t19-/m0/s1.
What are the key properties of (6S)-6-tert-butyl-2,2-diphenyloxasilinane?
(6S)-6-tert-butyl-2,2-diphenyloxasilinane has a molecular weight of 310.51 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-tert-butyl-2,2-diphenyloxasilinane is sourced from PubChem (CID 70967251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).