2,6-ditert-butyl-4-methyl-4H-thiopyran

C14H24S — CID 12513624

IUPAC2,6-ditert-butyl-4-methyl-4H-thiopyran
SMILESCC1C=C(C(C)(C)C)SC(C(C)(C)C)=C1
InChIInChI=1S/C14H24S/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-10H,1-7H3
InChIKeyPEXIAIADJOXBBE-UHFFFAOYSA-N
MW224.41 g/mol
LogP5.23
Rot. Bonds

About 2,6-ditert-butyl-4-methyl-4H-thiopyran

2,6-ditert-butyl-4-methyl-4H-thiopyran (PubChem CID 12513624) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methyl-4H-thiopyran.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methyl-4H-thiopyran
PubChem CID12513624
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name2,6-ditert-butyl-4-methyl-4H-thiopyran
SMILESCC1C=C(C(C)(C)C)SC(C(C)(C)C)=C1
InChIInChI=1S/C14H24S/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-10H,1-7H3
InChIKeyPEXIAIADJOXBBE-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methyl-4H-thiopyran?
The IUPAC name of 2,6-ditert-butyl-4-methyl-4H-thiopyran (CID 12513624) is 2,6-ditert-butyl-4-methyl-4H-thiopyran.
What is the SMILES notation for 2,6-ditert-butyl-4-methyl-4H-thiopyran?
The canonical SMILES for 2,6-ditert-butyl-4-methyl-4H-thiopyran is CC1C=C(C(C)(C)C)SC(C(C)(C)C)=C1.
What is the InChIKey of 2,6-ditert-butyl-4-methyl-4H-thiopyran?
The InChIKey is PEXIAIADJOXBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-10H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-methyl-4H-thiopyran?
2,6-ditert-butyl-4-methyl-4H-thiopyran has a molecular weight of 224.41 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methyl-4H-thiopyran is sourced from PubChem (CID 12513624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).