(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol

C20H38O3Si2 — CID 16755809

IUPAC(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol
SMILESC#C[C@](O)(CC#C[Si](CC)(CC)CC)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si2/c1-10-20(22,15-14-16-25(11-2,12-3)13-4)18(21)17-23-24(8,9)19(5,6)7/h1,18,21-22H,11-13,15,17H2,2-9H3/t18-,20+/m1/s1
InChIKeyQTULWSRJELFCHE-QUCCMNQESA-N
MW382.69 g/mol
LogP4.17
Rot. Bonds8

About (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol

(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol (PubChem CID 16755809) has the molecular formula C20H38O3Si2 and a molecular weight of 382.69 g/mol. Its IUPAC name is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol
PubChem CID16755809
Molecular FormulaC20H38O3Si2
Molecular Weight382.69 g/mol
Exact Mass382.24
IUPAC Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol
SMILESC#C[C@](O)(CC#C[Si](CC)(CC)CC)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si2/c1-10-20(22,15-14-16-25(11-2,12-3)13-4)18(21)17-23-24(8,9)19(5,6)7/h1,18,21-22H,11-13,15,17H2,2-9H3/t18-,20+/m1/s1
InChIKeyQTULWSRJELFCHE-QUCCMNQESA-N
XLogP4.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.69
LogP ≤ 54.17
H-Bond Donors ≤ 52
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)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol?
The IUPAC name of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol (CID 16755809) is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol.
What is the SMILES notation for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol?
The canonical SMILES for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol is C#C[C@](O)(CC#C[Si](CC)(CC)CC)[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-ethynyl-6-triethylsilylhex-5-yne-2,3-diol?
The InChIKey is QTULWSRJELFCHE-QUCCMNQESA-N. The full InChI is InChI=1S/C20H38O3Si2/c1-10-20(22,15-14-16-25(11-2,12-3)13-4)18(21)17-23-24(8,9)19(5,6)7/h1,18,21-22H,11-13,15,17H2,2-9H3/t18-,20+/m1/s1.
What are the key properties of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol?
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol has a molecular weight of 382.69 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-6-triethylsilylhex-5-yne-2,3-diol is sourced from PubChem (CID 16755809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).