(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol

C18H38O3Si2 — CID 11360351

IUPAC(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C18H38O3Si2/c1-13-15(20-22(9,10)17(3,4)5)16(14(2)19)21-23(11,12)18(6,7)8/h1,14-16,19H,2-12H3/t14-,15+,16-/m1/s1
InChIKeyLFWYTURWRFOOSL-OWCLPIDISA-N
MW358.67 g/mol
LogP4.78
Rot. Bonds6

About (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol

(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol (PubChem CID 11360351) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol.

Molecular Properties

Compound Name(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
PubChem CID11360351
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Name(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C18H38O3Si2/c1-13-15(20-22(9,10)17(3,4)5)16(14(2)19)21-23(11,12)18(6,7)8/h1,14-16,19H,2-12H3/t14-,15+,16-/m1/s1
InChIKeyLFWYTURWRFOOSL-OWCLPIDISA-N
XLogP4.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol?
The IUPAC name of (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol (CID 11360351) is (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol.
What is the SMILES notation for (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol?
The canonical SMILES for (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O.
What is the InChIKey of (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol?
The InChIKey is LFWYTURWRFOOSL-OWCLPIDISA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-13-15(20-22(9,10)17(3,4)5)16(14(2)19)21-23(11,12)18(6,7)8/h1,14-16,19H,2-12H3/t14-,15+,16-/m1/s1.
What are the key properties of (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol?
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol has a molecular weight of 358.67 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol is sourced from PubChem (CID 11360351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).