(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol

C16H24O2Si — CID 11119358

IUPAC(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
SMILESC#C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h1,8-12,14-15,17H,2-6H3/t14-,15+/m0/s1
InChIKeyUQJNUFRUAANLGM-LSDHHAIUSA-N
MW276.45 g/mol
LogP3.74
Rot. Bonds4

About (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol

(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol (PubChem CID 11119358) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
PubChem CID11119358
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
SMILESC#C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h1,8-12,14-15,17H,2-6H3/t14-,15+/m0/s1
InChIKeyUQJNUFRUAANLGM-LSDHHAIUSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol?
The IUPAC name of (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol (CID 11119358) is (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol.
What is the SMILES notation for (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol?
The canonical SMILES for (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol is C#C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol?
The InChIKey is UQJNUFRUAANLGM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h1,8-12,14-15,17H,2-6H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol?
(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol has a molecular weight of 276.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol is sourced from PubChem (CID 11119358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).