[(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol

C16H30OSi — CID 90075404

IUPAC[(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol
SMILESCC[Si](C#C[C@]1(C)CCCC[C@@H]1CO)(CC)CC
InChIInChI=1S/C16H30OSi/c1-5-18(6-2,7-3)13-12-16(4)11-9-8-10-15(16)14-17/h15,17H,5-11,14H2,1-4H3/t15-,16+/m1/s1
InChIKeyWSODXLWEUONKLM-CVEARBPZSA-N
MW266.50 g/mol
LogP4.23
Rot. Bonds4

About [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol

[(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol (PubChem CID 90075404) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol
PubChem CID90075404
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol
SMILESCC[Si](C#C[C@]1(C)CCCC[C@@H]1CO)(CC)CC
InChIInChI=1S/C16H30OSi/c1-5-18(6-2,7-3)13-12-16(4)11-9-8-10-15(16)14-17/h15,17H,5-11,14H2,1-4H3/t15-,16+/m1/s1
InChIKeyWSODXLWEUONKLM-CVEARBPZSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol?
The IUPAC name of [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol (CID 90075404) is [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol.
What is the SMILES notation for [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol?
The canonical SMILES for [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol is CC[Si](C#C[C@]1(C)CCCC[C@@H]1CO)(CC)CC.
What is the InChIKey of [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol?
The InChIKey is WSODXLWEUONKLM-CVEARBPZSA-N. The full InChI is InChI=1S/C16H30OSi/c1-5-18(6-2,7-3)13-12-16(4)11-9-8-10-15(16)14-17/h15,17H,5-11,14H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol?
[(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol has a molecular weight of 266.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol is sourced from PubChem (CID 90075404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).