(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol

C12H22F2O3Si — CID 102039374

IUPAC(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(F)(F)[C@H](O)CO
InChIInChI=1S/C12H22F2O3Si/c1-11(2,3)18(4,5)17-8-6-7-12(13,14)10(16)9-15/h10,15-16H,8-9H2,1-5H3/t10-/m1/s1
InChIKeyQBICDQKZMKMITQ-SNVBAGLBSA-N
MW280.39 g/mol
LogP2.00
Rot. Bonds4

About (2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol

(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol (PubChem CID 102039374) has the molecular formula C12H22F2O3Si and a molecular weight of 280.39 g/mol. Its IUPAC name is (2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol.

Molecular Properties

Compound Name(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol
PubChem CID102039374
Molecular FormulaC12H22F2O3Si
Molecular Weight280.39 g/mol
Exact Mass280.13
IUPAC Name(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(F)(F)[C@H](O)CO
InChIInChI=1S/C12H22F2O3Si/c1-11(2,3)18(4,5)17-8-6-7-12(13,14)10(16)9-15/h10,15-16H,8-9H2,1-5H3/t10-/m1/s1
InChIKeyQBICDQKZMKMITQ-SNVBAGLBSA-N
XLogP2.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.00
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)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol?
The IUPAC name of (2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol (CID 102039374) is (2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol.
What is the SMILES notation for (2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol?
The canonical SMILES for (2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol is CC(C)(C)[Si](C)(C)OCC#CC(F)(F)[C@H](O)CO.
What is the InChIKey of (2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol?
The InChIKey is QBICDQKZMKMITQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22F2O3Si/c1-11(2,3)18(4,5)17-8-6-7-12(13,14)10(16)9-15/h10,15-16H,8-9H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol?
(2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol has a molecular weight of 280.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluorohex-4-yne-1,2-diol is sourced from PubChem (CID 102039374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).