(1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol

C13H28OSi — CID 10105190

IUPAC(1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@H](O)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C13H28OSi/c1-13(2,3)10-7-8-11(14)12(9-10)15(4,5)6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12+/m0/s1
InChIKeyCRBZGYZQMGMNFZ-QJPTWQEYSA-N
MW228.45 g/mol
LogP3.90
Rot. Bonds1

About (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol

(1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol (PubChem CID 10105190) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol
PubChem CID10105190
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name(1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@H](O)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C13H28OSi/c1-13(2,3)10-7-8-11(14)12(9-10)15(4,5)6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12+/m0/s1
InChIKeyCRBZGYZQMGMNFZ-QJPTWQEYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol?
The IUPAC name of (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol (CID 10105190) is (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol is CC(C)(C)[C@H]1CC[C@@H](O)[C@H]([Si](C)(C)C)C1.
What is the InChIKey of (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol?
The InChIKey is CRBZGYZQMGMNFZ-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-13(2,3)10-7-8-11(14)12(9-10)15(4,5)6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12+/m0/s1.
What are the key properties of (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol?
(1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol has a molecular weight of 228.45 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-tert-butyl-2-trimethylsilylcyclohexan-1-ol is sourced from PubChem (CID 10105190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).