4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

C15H28OSi — CID 10658495

IUPAC4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C15H28OSi/c1-14(2,3)13-7-9-15(16,10-8-13)11-12-17(4,5)6/h13,16H,7-10H2,1-6H3
InChIKeyVWNYENJCGOPZFW-UHFFFAOYSA-N
MW252.47 g/mol
LogP3.83
Rot. Bonds

About 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (PubChem CID 10658495) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
PubChem CID10658495
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C15H28OSi/c1-14(2,3)13-7-9-15(16,10-8-13)11-12-17(4,5)6/h13,16H,7-10H2,1-6H3
InChIKeyVWNYENJCGOPZFW-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 53.83
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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Related Compounds

4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol
CID 94841
4-Tert-butyl-1-trimethylsilylcyclohexan-1-ol
CID 12632626
4-tert-Butyl-1-[1-(trimethylsilyl)cyclopropyl]cyclohexan-1-ol
CID 13280438
4-Tert-butyl-1-(trimethylsilylmethyl)cyclohexan-1-ol
CID 13699766
4-Tert-butyl-1-dec-1-ynylcyclohexan-1-ol
CID 135061615
4-tert-Butyl-1-[1-(trimethylsilyl)propyl]cyclohexan-1-ol
CID 13280432
1-Ethynyl-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 20379131
4-(4-Methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 20693738
4-(4-Propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 59309285
4-Propyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 59309306
6-((Trimethylsilyl)ethynyl)spiro[2.5]octan-6-ol
CID 166549236
4-[1-[Hydroxy(dimethyl)silyl]propan-2-yl]-1-methylcyclohexan-1-ol
CID 173562190

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (CID 10658495) is 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)(C#C[Si](C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The InChIKey is VWNYENJCGOPZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-14(2,3)13-7-9-15(16,10-8-13)11-12-17(4,5)6/h13,16H,7-10H2,1-6H3.
What are the key properties of 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol has a molecular weight of 252.47 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is sourced from PubChem (CID 10658495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).