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

C16H28O2Si — CID 10779159

IUPAC(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol
SMILESC[C@H](c1ccccc1)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-13(14-10-8-7-9-11-14)15(17)12-18-19(5,6)16(2,3)4/h7-11,13,15,17H,12H2,1-6H3/t13-,15+/m1/s1
InChIKeyBYBAWETYZLUPHX-HIFRSBDPSA-N
MW280.48 g/mol
LogP4.17
Rot. Bonds5

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

(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol (PubChem CID 10779159) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol
PubChem CID10779159
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol
SMILESC[C@H](c1ccccc1)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-13(14-10-8-7-9-11-14)15(17)12-18-19(5,6)16(2,3)4/h7-11,13,15,17H,12H2,1-6H3/t13-,15+/m1/s1
InChIKeyBYBAWETYZLUPHX-HIFRSBDPSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
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 (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol?
The IUPAC name of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol (CID 10779159) is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol.
What is the SMILES notation for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol?
The canonical SMILES for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol is C[C@H](c1ccccc1)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol?
The InChIKey is BYBAWETYZLUPHX-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-13(14-10-8-7-9-11-14)15(17)12-18-19(5,6)16(2,3)4/h7-11,13,15,17H,12H2,1-6H3/t13-,15+/m1/s1.
What are the key properties of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol?
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol has a molecular weight of 280.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutan-2-ol is sourced from PubChem (CID 10779159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).