(3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol

C24H34O2Si2 — CID 11090894

IUPAC(3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)(C)[Si](OCC[C@H](O)C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2Si2/c1-24(2,3)28(22-13-9-7-10-14-22,23-15-11-8-12-16-23)26-19-17-21(25)18-20-27(4,5)6/h7-16,21,25H,17,19H2,1-6H3/t21-/m0/s1
InChIKeyLSJRBCWMASQLLS-NRFANRHFSA-N
MW410.71 g/mol
LogP4.19
Rot. Bonds6

About (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol

(3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol (PubChem CID 11090894) has the molecular formula C24H34O2Si2 and a molecular weight of 410.71 g/mol. Its IUPAC name is (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
PubChem CID11090894
Molecular FormulaC24H34O2Si2
Molecular Weight410.71 g/mol
Exact Mass410.21
IUPAC Name(3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
SMILESCC(C)(C)[Si](OCC[C@H](O)C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2Si2/c1-24(2,3)28(22-13-9-7-10-14-22,23-15-11-8-12-16-23)26-19-17-21(25)18-20-27(4,5)6/h7-16,21,25H,17,19H2,1-6H3/t21-/m0/s1
InChIKeyLSJRBCWMASQLLS-NRFANRHFSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-((tert-Butyldiphenylsilyl)oxy)-2,2-dimethylpropan-1-ol
CID 11313883
Diphenyl(4-hydroxybutyl)methylsilane
CID 4583561
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
CID 138971112
1-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 10065108
3-(Tert-butyldiphenylsiloxy)propanol
CID 10245134
5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936
(2S)-3-{[tert-butyl(diphenyl)silyl]oxy}-2-methyl-1-propanol
CID 11088763
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-ol
CID 11783240
(S)-1-[(tert-Butyldiphenylsilyl)oxy]-3-butyn-2-ol
CID 14778754
4-((tert-Butyldiphenylsilyl)oxy)but-2-yn-1-ol
CID 59234967

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
The IUPAC name of (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol (CID 11090894) is (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol.
What is the SMILES notation for (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
The canonical SMILES for (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol is CC(C)(C)[Si](OCC[C@H](O)C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
The InChIKey is LSJRBCWMASQLLS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34O2Si2/c1-24(2,3)28(22-13-9-7-10-14-22,23-15-11-8-12-16-23)26-19-17-21(25)18-20-27(4,5)6/h7-16,21,25H,17,19H2,1-6H3/t21-/m0/s1.
What are the key properties of (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol?
(3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol has a molecular weight of 410.71 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol is sourced from PubChem (CID 11090894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).