2,6-ditert-butyl-2H-pyran

C13H22O — CID 18671210

IUPAC2,6-ditert-butyl-2H-pyran
SMILESCC(C)(C)C1=CC=CC(C(C)(C)C)O1
InChIInChI=1S/C13H22O/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-10H,1-6H3
InChIKeyKCUIIVDHDWZNAQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.92
Rot. Bonds

About 2,6-ditert-butyl-2H-pyran

2,6-ditert-butyl-2H-pyran (PubChem CID 18671210) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,6-ditert-butyl-2H-pyran.

Molecular Properties

Compound Name2,6-ditert-butyl-2H-pyran
PubChem CID18671210
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2,6-ditert-butyl-2H-pyran
SMILESCC(C)(C)C1=CC=CC(C(C)(C)C)O1
InChIInChI=1S/C13H22O/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-10H,1-6H3
InChIKeyKCUIIVDHDWZNAQ-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.92
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-2H-pyran?
The IUPAC name of 2,6-ditert-butyl-2H-pyran (CID 18671210) is 2,6-ditert-butyl-2H-pyran.
What is the SMILES notation for 2,6-ditert-butyl-2H-pyran?
The canonical SMILES for 2,6-ditert-butyl-2H-pyran is CC(C)(C)C1=CC=CC(C(C)(C)C)O1.
What is the InChIKey of 2,6-ditert-butyl-2H-pyran?
The InChIKey is KCUIIVDHDWZNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-10H,1-6H3.
What are the key properties of 2,6-ditert-butyl-2H-pyran?
2,6-ditert-butyl-2H-pyran has a molecular weight of 194.32 g/mol, XLogP of 3.92, 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-2H-pyran is sourced from PubChem (CID 18671210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).