[(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol

C14H28OSi — CID 134980523

IUPAC[(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol
SMILESCC(C)(C)[C@@H]1C=C[C@H](CO)C([Si](C)(C)C)C1
InChIInChI=1S/C14H28OSi/c1-14(2,3)12-8-7-11(10-15)13(9-12)16(4,5)6/h7-8,11-13,15H,9-10H2,1-6H3/t11-,12-,13?/m1/s1
InChIKeyWUCJMBMGRQEFHA-ZNRZSNADSA-N
MW240.46 g/mol
LogP3.93
Rot. Bonds2

About [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol

[(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol (PubChem CID 134980523) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol
PubChem CID134980523
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name[(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol
SMILESCC(C)(C)[C@@H]1C=C[C@H](CO)C([Si](C)(C)C)C1
InChIInChI=1S/C14H28OSi/c1-14(2,3)12-8-7-11(10-15)13(9-12)16(4,5)6/h7-8,11-13,15H,9-10H2,1-6H3/t11-,12-,13?/m1/s1
InChIKeyWUCJMBMGRQEFHA-ZNRZSNADSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol (CID 134980523) is [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol is CC(C)(C)[C@@H]1C=C[C@H](CO)C([Si](C)(C)C)C1.
What is the InChIKey of [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol?
The InChIKey is WUCJMBMGRQEFHA-ZNRZSNADSA-N. The full InChI is InChI=1S/C14H28OSi/c1-14(2,3)12-8-7-11(10-15)13(9-12)16(4,5)6/h7-8,11-13,15H,9-10H2,1-6H3/t11-,12-,13?/m1/s1.
What are the key properties of [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol?
[(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol has a molecular weight of 240.46 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 134980523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).