4-tert-butyl-1-trimethylsilylcyclohexan-1-ol

C13H28OSi — CID 12632626

IUPAC4-tert-butyl-1-trimethylsilylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)([Si](C)(C)C)CC1
InChIInChI=1S/C13H28OSi/c1-12(2,3)11-7-9-13(14,10-8-11)15(4,5)6/h11,14H,7-10H2,1-6H3
InChIKeyJMDNRAYHZPHGKM-UHFFFAOYSA-N
MW228.45 g/mol
LogP3.83
Rot. Bonds1

About 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol

4-tert-butyl-1-trimethylsilylcyclohexan-1-ol (PubChem CID 12632626) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-trimethylsilylcyclohexan-1-ol
PubChem CID12632626
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name4-tert-butyl-1-trimethylsilylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)([Si](C)(C)C)CC1
InChIInChI=1S/C13H28OSi/c1-12(2,3)11-7-9-13(14,10-8-11)15(4,5)6/h11,14H,7-10H2,1-6H3
InChIKeyJMDNRAYHZPHGKM-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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-trimethylgermylcyclohexan-1-ol
CID 15639687
2-[(1S,2R)-2-trimethylsilylcyclohexyl]propan-2-ol
CID 154723356
4-tert-Butyl-1-[1-(trimethylsilyl)propyl]cyclohexan-1-ol
CID 13280432
4-[1-[Hydroxy(dimethyl)silyl]propan-2-yl]-1-methylcyclohexan-1-ol
CID 173562190
4-Tert-butyl-1-dimethylsilyloxycyclohexan-1-ol
CID 173647514
(1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol
CID 10105190
(1R,2R,5S)-5-tert-butyl-2-trimethylsilylcyclohexan-1-ol
CID 10443780
4-Tert-butyl-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 10658495
4-Tert-butyl-1-[[ethoxy(dimethyl)silyl]methyl]cyclohexan-1-ol
CID 11403042
(1R,2S,5S)-5-Tert-butyl-2-(trimethylsilyl)cyclohexanol
CID 12632630

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol (CID 12632626) is 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol is CC(C)(C)C1CCC(O)([Si](C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol?
The InChIKey is JMDNRAYHZPHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-12(2,3)11-7-9-13(14,10-8-11)15(4,5)6/h11,14H,7-10H2,1-6H3.
What are the key properties of 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol?
4-tert-butyl-1-trimethylsilylcyclohexan-1-ol has a molecular weight of 228.45 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-trimethylsilylcyclohexan-1-ol is sourced from PubChem (CID 12632626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).