(1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol

C16H24OTe — CID 101189092

IUPAC(1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@H]([Te]c2ccccc2)[C@H](O)C1
InChIInChI=1S/C16H24OTe/c1-16(2,3)12-9-10-15(14(17)11-12)18-13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14+,15+/m0/s1
InChIKeyKWZHBHFBBRVNMW-NWANDNLSSA-N
MW359.97 g/mol
LogP3.01
Rot. Bonds2

About (1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol

(1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol (PubChem CID 101189092) has the molecular formula C16H24OTe and a molecular weight of 359.97 g/mol. Its IUPAC name is (1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol
PubChem CID101189092
Molecular FormulaC16H24OTe
Molecular Weight359.97 g/mol
Exact Mass362.09
IUPAC Name(1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@H]([Te]c2ccccc2)[C@H](O)C1
InChIInChI=1S/C16H24OTe/c1-16(2,3)12-9-10-15(14(17)11-12)18-13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14+,15+/m0/s1
InChIKeyKWZHBHFBBRVNMW-NWANDNLSSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.97
LogP ≤ 53.01
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,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol?
The IUPAC name of (1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol (CID 101189092) is (1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol is CC(C)(C)[C@H]1CC[C@@H]([Te]c2ccccc2)[C@H](O)C1.
What is the InChIKey of (1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol?
The InChIKey is KWZHBHFBBRVNMW-NWANDNLSSA-N. The full InChI is InChI=1S/C16H24OTe/c1-16(2,3)12-9-10-15(14(17)11-12)18-13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14+,15+/m0/s1.
What are the key properties of (1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol?
(1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol has a molecular weight of 359.97 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol is sourced from PubChem (CID 101189092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).