5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran

C15H28O — CID 177113729

IUPAC5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran
SMILESCC(C)(C)C1=C(C(C)(C)C)C(C)(C)CCO1
InChIInChI=1S/C15H28O/c1-13(2,3)11-12(14(4,5)6)16-10-9-15(11,7)8/h9-10H2,1-8H3
InChIKeyXWSZHXKHHZJMNN-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.78
Rot. Bonds

About 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran

5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran (PubChem CID 177113729) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran
PubChem CID177113729
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran
SMILESCC(C)(C)C1=C(C(C)(C)C)C(C)(C)CCO1
InChIInChI=1S/C15H28O/c1-13(2,3)11-12(14(4,5)6)16-10-9-15(11,7)8/h9-10H2,1-8H3
InChIKeyXWSZHXKHHZJMNN-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran?
The IUPAC name of 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran (CID 177113729) is 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran.
What is the SMILES notation for 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran?
The canonical SMILES for 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran is CC(C)(C)C1=C(C(C)(C)C)C(C)(C)CCO1.
What is the InChIKey of 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran?
The InChIKey is XWSZHXKHHZJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-13(2,3)11-12(14(4,5)6)16-10-9-15(11,7)8/h9-10H2,1-8H3.
What are the key properties of 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran?
5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran has a molecular weight of 224.39 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-4,4-dimethyl-2,3-dihydropyran is sourced from PubChem (CID 177113729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).