tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane

C27H34O2Si — CID 134831581

IUPACtert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane
SMILESCO[C@@H](Cc1ccccc1)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H34O2Si/c1-22(26(28-5)21-23-15-9-6-10-16-23)29-30(27(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26H,21H2,1-5H3/t22-,26+/m1/s1
InChIKeyUKPAOTFQGKTLFJ-GJZUVCINSA-N
MW418.65 g/mol
LogP5.21
Rot. Bonds8

About tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane

tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane (PubChem CID 134831581) has the molecular formula C27H34O2Si and a molecular weight of 418.65 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane
PubChem CID134831581
Molecular FormulaC27H34O2Si
Molecular Weight418.65 g/mol
Exact Mass418.23
IUPAC Nametert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane
SMILESCO[C@@H](Cc1ccccc1)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H34O2Si/c1-22(26(28-5)21-23-15-9-6-10-16-23)29-30(27(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26H,21H2,1-5H3/t22-,26+/m1/s1
InChIKeyUKPAOTFQGKTLFJ-GJZUVCINSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.65
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
CID 59466620
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane (CID 134831581) is tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane is CO[C@@H](Cc1ccccc1)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane?
The InChIKey is UKPAOTFQGKTLFJ-GJZUVCINSA-N. The full InChI is InChI=1S/C27H34O2Si/c1-22(26(28-5)21-23-15-9-6-10-16-23)29-30(27(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26H,21H2,1-5H3/t22-,26+/m1/s1.
What are the key properties of tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane?
tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane has a molecular weight of 418.65 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 134831581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).