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

C25H36O2Si — CID 10862209

IUPACtert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane
SMILESCCC[C@@H](C[C@H]1CCCO1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O2Si/c1-5-13-22(20-21-14-12-19-26-21)27-28(25(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-11,15-18,21-22H,5,12-14,19-20H2,1-4H3/t21-,22+/m1/s1
InChIKeyMBCSUMQDCMHZQN-YADHBBJMSA-N
MW396.65 g/mol
LogP5.30
Rot. Bonds8

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

tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane (PubChem CID 10862209) has the molecular formula C25H36O2Si and a molecular weight of 396.65 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane
PubChem CID10862209
Molecular FormulaC25H36O2Si
Molecular Weight396.65 g/mol
Exact Mass396.25
IUPAC Nametert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane
SMILESCCC[C@@H](C[C@H]1CCCO1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O2Si/c1-5-13-22(20-21-14-12-19-26-21)27-28(25(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-11,15-18,21-22H,5,12-14,19-20H2,1-4H3/t21-,22+/m1/s1
InChIKeyMBCSUMQDCMHZQN-YADHBBJMSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.30
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]pentan-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane (CID 10862209) is tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane is CCC[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]pentan-2-yl]oxy-diphenylsilane?
The InChIKey is MBCSUMQDCMHZQN-YADHBBJMSA-N. The full InChI is InChI=1S/C25H36O2Si/c1-5-13-22(20-21-14-12-19-26-21)27-28(25(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-11,15-18,21-22H,5,12-14,19-20H2,1-4H3/t21-,22+/m1/s1.
What are the key properties of tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane?
tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]pentan-2-yl]oxy-diphenylsilane has a molecular weight of 396.65 g/mol, XLogP of 5.30, 8 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]pentan-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 10862209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).