(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol

C12H24O3Si — CID 134859478

IUPAC(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol
SMILESC#CC(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C12H24O3Si/c1-8-10(11(14)9(2)13)15-16(6,7)12(3,4)5/h1,9-11,13-14H,2-7H3/t9-,10?,11+/m1/s1
InChIKeyVBPHDCANEILING-FBKFWFMHSA-N
MW244.41 g/mol
LogP1.75
Rot. Bonds4

About (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol

(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol (PubChem CID 134859478) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol
PubChem CID134859478
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol
SMILESC#CC(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)O
InChIInChI=1S/C12H24O3Si/c1-8-10(11(14)9(2)13)15-16(6,7)12(3,4)5/h1,9-11,13-14H,2-7H3/t9-,10?,11+/m1/s1
InChIKeyVBPHDCANEILING-FBKFWFMHSA-N
XLogP1.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 51.75
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,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol?
The IUPAC name of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol (CID 134859478) is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol.
What is the SMILES notation for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol?
The canonical SMILES for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol is C#CC(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)O.
What is the InChIKey of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol?
The InChIKey is VBPHDCANEILING-FBKFWFMHSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-8-10(11(14)9(2)13)15-16(6,7)12(3,4)5/h1,9-11,13-14H,2-7H3/t9-,10?,11+/m1/s1.
What are the key properties of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol?
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol has a molecular weight of 244.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-yne-2,3-diol is sourced from PubChem (CID 134859478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).