2,6-ditert-butylpyran-4-tellone

C13H20OTe — CID 18671204

IUPAC2,6-ditert-butylpyran-4-tellone
SMILESCC(C)(C)c1cc(=[Te])cc(C(C)(C)C)o1
InChIInChI=1S/C13H20OTe/c1-12(2,3)10-7-9(15)8-11(14-10)13(4,5)6/h7-8H,1-6H3
InChIKeyGNZPJJLRFYENED-UHFFFAOYSA-N
MW319.90 g/mol
LogP3.58
Rot. Bonds

About 2,6-ditert-butylpyran-4-tellone

2,6-ditert-butylpyran-4-tellone (PubChem CID 18671204) has the molecular formula C13H20OTe and a molecular weight of 319.90 g/mol. Its IUPAC name is 2,6-ditert-butylpyran-4-tellone.

Molecular Properties

Compound Name2,6-ditert-butylpyran-4-tellone
PubChem CID18671204
Molecular FormulaC13H20OTe
Molecular Weight319.90 g/mol
Exact Mass322.06
IUPAC Name2,6-ditert-butylpyran-4-tellone
SMILESCC(C)(C)c1cc(=[Te])cc(C(C)(C)C)o1
InChIInChI=1S/C13H20OTe/c1-12(2,3)10-7-9(15)8-11(14-10)13(4,5)6/h7-8H,1-6H3
InChIKeyGNZPJJLRFYENED-UHFFFAOYSA-N
XLogP3.58
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.90
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl-
CID 115939
2,6-ditert-butyl-4H-pyran
CID 13802905
(E) 2-(2-Methylvinyoxy)-4-methyl-2-pentene
CID 5463362
2-Pentene, 2-methoxy-4,4-dimethyl-, (E)-
CID 5463428
(Z)-2-methoxy-4,4-dimethylpent-2-ene
CID 6439840
3-Methoxy-4,4-dimethylpent-2-ene
CID 522195
2-Pentene, 3-methoxy-4,4-dimethyl-, (Z)-
CID 5463427
2,6-Ditert-butylpyran-4-thione
CID 18671203
2,6-Ditert-butylpyran-4-selone
CID 18671212
6-tert-butyl-3,4-dihydro-2H-pyran
CID 22986723
2-Ethoxy-4,4-dimethylpent-2-ene
CID 53720956
2-(4,4-Dimethylpent-2-en-2-yloxy)-4,4-dimethylpent-2-ene
CID 57226625

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylpyran-4-tellone?
The IUPAC name of 2,6-ditert-butylpyran-4-tellone (CID 18671204) is 2,6-ditert-butylpyran-4-tellone.
What is the SMILES notation for 2,6-ditert-butylpyran-4-tellone?
The canonical SMILES for 2,6-ditert-butylpyran-4-tellone is CC(C)(C)c1cc(=[Te])cc(C(C)(C)C)o1.
What is the InChIKey of 2,6-ditert-butylpyran-4-tellone?
The InChIKey is GNZPJJLRFYENED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OTe/c1-12(2,3)10-7-9(15)8-11(14-10)13(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,6-ditert-butylpyran-4-tellone?
2,6-ditert-butylpyran-4-tellone has a molecular weight of 319.90 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butylpyran-4-tellone is sourced from PubChem (CID 18671204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).