tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane

C23H32O2Si — CID 15249300

IUPACtert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane
SMILESC[C@@H](C[C@H]1CCCO1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-19(18-20-12-11-17-24-20)25-26(23(2,3)4,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,19-20H,11-12,17-18H2,1-4H3/t19-,20+/m0/s1
InChIKeyKASSYPBOBKAXGZ-VQTJNVASSA-N
MW368.59 g/mol
LogP4.52
Rot. Bonds6

About tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane

tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane (PubChem CID 15249300) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane
PubChem CID15249300
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Nametert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane
SMILESC[C@@H](C[C@H]1CCCO1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-19(18-20-12-11-17-24-20)25-26(23(2,3)4,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,19-20H,11-12,17-18H2,1-4H3/t19-,20+/m0/s1
InChIKeyKASSYPBOBKAXGZ-VQTJNVASSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane (CID 15249300) is tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane is C[C@@H](C[C@H]1CCCO1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane?
The InChIKey is KASSYPBOBKAXGZ-VQTJNVASSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-19(18-20-12-11-17-24-20)25-26(23(2,3)4,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,19-20H,11-12,17-18H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane?
tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane has a molecular weight of 368.59 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 15249300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).