(3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol

C11H18O2Si — CID 71098728

IUPAC(3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol
SMILESC[C@@H]1C=C[C@@](O)(C#C[Si](C)(C)C)CO1
InChIInChI=1S/C11H18O2Si/c1-10-5-6-11(12,9-13-10)7-8-14(2,3)4/h5-6,10,12H,9H2,1-4H3/t10-,11-/m1/s1
InChIKeyXHSPBYRJJGYOEB-GHMZBOCLSA-N
MW210.35 g/mol
LogP1.57
Rot. Bonds

About (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol

(3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol (PubChem CID 71098728) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol.

Molecular Properties

Compound Name(3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol
PubChem CID71098728
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Name(3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol
SMILESC[C@@H]1C=C[C@@](O)(C#C[Si](C)(C)C)CO1
InChIInChI=1S/C11H18O2Si/c1-10-5-6-11(12,9-13-10)7-8-14(2,3)4/h5-6,10,12H,9H2,1-4H3/t10-,11-/m1/s1
InChIKeyXHSPBYRJJGYOEB-GHMZBOCLSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol?
The IUPAC name of (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol (CID 71098728) is (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol.
What is the SMILES notation for (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol?
The canonical SMILES for (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol is C[C@@H]1C=C[C@@](O)(C#C[Si](C)(C)C)CO1.
What is the InChIKey of (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol?
The InChIKey is XHSPBYRJJGYOEB-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-10-5-6-11(12,9-13-10)7-8-14(2,3)4/h5-6,10,12H,9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol?
(3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol has a molecular weight of 210.35 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-methyl-3-(2-trimethylsilylethynyl)-2,6-dihydropyran-3-ol is sourced from PubChem (CID 71098728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).