(1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol

C11H16O2Si — CID 10727083

IUPAC(1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
SMILESC[Si](C)(C)C#CC1=C[C@H]2C[C@@H](O)[C@@H]1O2
InChIInChI=1S/C11H16O2Si/c1-14(2,3)5-4-8-6-9-7-10(12)11(8)13-9/h6,9-12H,7H2,1-3H3/t9-,10+,11+/m0/s1
InChIKeyCQSHKNBMROBHOO-HBNTYKKESA-N
MW208.33 g/mol
LogP1.33
Rot. Bonds

About (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol

(1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 10727083) has the molecular formula C11H16O2Si and a molecular weight of 208.33 g/mol. Its IUPAC name is (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name(1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
PubChem CID10727083
Molecular FormulaC11H16O2Si
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
SMILESC[Si](C)(C)C#CC1=C[C@H]2C[C@@H](O)[C@@H]1O2
InChIInChI=1S/C11H16O2Si/c1-14(2,3)5-4-8-6-9-7-10(12)11(8)13-9/h6,9-12H,7H2,1-3H3/t9-,10+,11+/m0/s1
InChIKeyCQSHKNBMROBHOO-HBNTYKKESA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol (CID 10727083) is (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol is C[Si](C)(C)C#CC1=C[C@H]2C[C@@H](O)[C@@H]1O2.
What is the InChIKey of (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is CQSHKNBMROBHOO-HBNTYKKESA-N. The full InChI is InChI=1S/C11H16O2Si/c1-14(2,3)5-4-8-6-9-7-10(12)11(8)13-9/h6,9-12H,7H2,1-3H3/t9-,10+,11+/m0/s1.
What are the key properties of (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol?
(1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 208.33 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-6-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 10727083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).