tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane

C31H40O4Si — CID 10885655

IUPACtert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H](COCc1ccccc1)OC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O4Si/c1-31(2,3)36(28-17-9-5-10-18-28,29-19-11-6-12-20-29)34-25-27(35-30-21-13-14-22-33-30)24-32-23-26-15-7-4-8-16-26/h4-12,15-20,27,30H,13-14,21-25H2,1-3H3/t27-,30?/m0/s1
InChIKeyKOYXTYHFZSYGEN-CEBUJLNPSA-N
MW504.74 g/mol
LogP5.69
Rot. Bonds11

About tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane

tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane (PubChem CID 10885655) has the molecular formula C31H40O4Si and a molecular weight of 504.74 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
PubChem CID10885655
Molecular FormulaC31H40O4Si
Molecular Weight504.74 g/mol
Exact Mass504.27
IUPAC Nametert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H](COCc1ccccc1)OC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O4Si/c1-31(2,3)36(28-17-9-5-10-18-28,29-19-11-6-12-20-29)34-25-27(35-30-21-13-14-22-33-30)24-32-23-26-15-7-4-8-16-26/h4-12,15-20,27,30H,13-14,21-25H2,1-3H3/t27-,30?/m0/s1
InChIKeyKOYXTYHFZSYGEN-CEBUJLNPSA-N
XLogP5.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.74
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol
CID 10590934
5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
CID 22244455
(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
CID 10972716
tert-butyl-[(2S)-1-[(4-methoxyphenyl)methoxy]-6-(oxan-2-yloxy)hex-4-yn-2-yl]oxy-diphenylsilane
CID 10918855
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
methyl (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methyl-3-(oxan-2-yloxy)pentanoate
CID 100984372
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane (CID 10885655) is tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@H](COCc1ccccc1)OC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane?
The InChIKey is KOYXTYHFZSYGEN-CEBUJLNPSA-N. The full InChI is InChI=1S/C31H40O4Si/c1-31(2,3)36(28-17-9-5-10-18-28,29-19-11-6-12-20-29)34-25-27(35-30-21-13-14-22-33-30)24-32-23-26-15-7-4-8-16-26/h4-12,15-20,27,30H,13-14,21-25H2,1-3H3/t27-,30?/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane?
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane has a molecular weight of 504.74 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane is sourced from PubChem (CID 10885655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).