2,6-ditert-butyl-4-methylthiopyran-4-ol

C14H24OS — CID 20529817

IUPAC2,6-ditert-butyl-4-methylthiopyran-4-ol
SMILESCC1(O)C=C(C(C)(C)C)SC(C(C)(C)C)=C1
InChIInChI=1S/C14H24OS/c1-12(2,3)10-8-14(7,15)9-11(16-10)13(4,5)6/h8-9,15H,1-7H3
InChIKeyNDIFPTLKQWJHOM-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.34
Rot. Bonds

About 2,6-ditert-butyl-4-methylthiopyran-4-ol

2,6-ditert-butyl-4-methylthiopyran-4-ol (PubChem CID 20529817) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylthiopyran-4-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylthiopyran-4-ol
PubChem CID20529817
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2,6-ditert-butyl-4-methylthiopyran-4-ol
SMILESCC1(O)C=C(C(C)(C)C)SC(C(C)(C)C)=C1
InChIInChI=1S/C14H24OS/c1-12(2,3)10-8-14(7,15)9-11(16-10)13(4,5)6/h8-9,15H,1-7H3
InChIKeyNDIFPTLKQWJHOM-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylthiopyran-4-ol?
The IUPAC name of 2,6-ditert-butyl-4-methylthiopyran-4-ol (CID 20529817) is 2,6-ditert-butyl-4-methylthiopyran-4-ol.
What is the SMILES notation for 2,6-ditert-butyl-4-methylthiopyran-4-ol?
The canonical SMILES for 2,6-ditert-butyl-4-methylthiopyran-4-ol is CC1(O)C=C(C(C)(C)C)SC(C(C)(C)C)=C1.
What is the InChIKey of 2,6-ditert-butyl-4-methylthiopyran-4-ol?
The InChIKey is NDIFPTLKQWJHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-12(2,3)10-8-14(7,15)9-11(16-10)13(4,5)6/h8-9,15H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-methylthiopyran-4-ol?
2,6-ditert-butyl-4-methylthiopyran-4-ol has a molecular weight of 240.41 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylthiopyran-4-ol is sourced from PubChem (CID 20529817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).