(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol

C11H22O3Si — CID 134842158

IUPAC(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
SMILESC#C[C@@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-9(12)10(13)8-14-15(5,6)11(2,3)4/h1,9-10,12-13H,8H2,2-6H3/t9-,10+/m1/s1
InChIKeyCHULHEFJSOWDPI-ZJUUUORDSA-N
MW230.38 g/mol
LogP1.36
Rot. Bonds4

About (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol

(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol (PubChem CID 134842158) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
PubChem CID134842158
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol
SMILESC#C[C@@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-9(12)10(13)8-14-15(5,6)11(2,3)4/h1,9-10,12-13H,8H2,2-6H3/t9-,10+/m1/s1
InChIKeyCHULHEFJSOWDPI-ZJUUUORDSA-N
XLogP1.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.36
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 (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol?
The IUPAC name of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol (CID 134842158) is (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol.
What is the SMILES notation for (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol?
The canonical SMILES for (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol is C#C[C@@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol?
The InChIKey is CHULHEFJSOWDPI-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-7-9(12)10(13)8-14-15(5,6)11(2,3)4/h1,9-10,12-13H,8H2,2-6H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol?
(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol has a molecular weight of 230.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-yne-2,3-diol is sourced from PubChem (CID 134842158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).