(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol

C14H28O3Si — CID 164668678

IUPAC(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol
SMILESC#CC(C)(C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-9-14(5,6)12(16)11(15)10-17-18(7,8)13(2,3)4/h1,11-12,15-16H,10H2,2-8H3/t11-,12+/m1/s1
InChIKeyFHDUPTJOFFSPPI-NEPJUHHUSA-N
MW272.46 g/mol
LogP2.39
Rot. Bonds5

About (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol

(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol (PubChem CID 164668678) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol
PubChem CID164668678
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol
SMILESC#CC(C)(C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-9-14(5,6)12(16)11(15)10-17-18(7,8)13(2,3)4/h1,11-12,15-16H,10H2,2-8H3/t11-,12+/m1/s1
InChIKeyFHDUPTJOFFSPPI-NEPJUHHUSA-N
XLogP2.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.39
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-4,4-dimethylhex-5-yne-2,3-diol?
The IUPAC name of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol (CID 164668678) is (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol.
What is the SMILES notation for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol?
The canonical SMILES for (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol is C#CC(C)(C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol?
The InChIKey is FHDUPTJOFFSPPI-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-9-14(5,6)12(16)11(15)10-17-18(7,8)13(2,3)4/h1,11-12,15-16H,10H2,2-8H3/t11-,12+/m1/s1.
What are the key properties of (2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol?
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-5-yne-2,3-diol has a molecular weight of 272.46 g/mol, XLogP of 2.39, 5 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-4,4-dimethylhex-5-yne-2,3-diol is sourced from PubChem (CID 164668678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).