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

C14H24O — CID 20764461

IUPAC2,4-ditert-butyl-6-methyl-4H-pyran
SMILESCC1=CC(C(C)(C)C)C=C(C(C)(C)C)O1
InChIInChI=1S/C14H24O/c1-10-8-11(13(2,3)4)9-12(15-10)14(5,6)7/h8-9,11H,1-7H3
InChIKeyCZFGQXYIJJSLTI-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.51
Rot. Bonds

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

2,4-ditert-butyl-6-methyl-4H-pyran (PubChem CID 20764461) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-methyl-4H-pyran.

Molecular Properties

Compound Name2,4-ditert-butyl-6-methyl-4H-pyran
PubChem CID20764461
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,4-ditert-butyl-6-methyl-4H-pyran
SMILESCC1=CC(C(C)(C)C)C=C(C(C)(C)C)O1
InChIInChI=1S/C14H24O/c1-10-8-11(13(2,3)4)9-12(15-10)14(5,6)7/h8-9,11H,1-7H3
InChIKeyCZFGQXYIJJSLTI-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl-
CID 115939
2,3-Dimethyl-6-isopropyl-4h-pyran
CID 12070933
2,2',4,4',6,6'-hexamethyl-4H,4'H-4,4'-bipyran
CID 5257441
2,2',6,6'-tetra-tert-butyl-4,4'-dimethyl-4H,4'H-4,4'-bipyran
CID 91733952
4-Methyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyran
CID 21789782
6-isobutyl-3,4-dihydro-2H-pyran
CID 9989345
2,4,6-Tri-t-butyl-4h-pyran
CID 12347769
4,4,5,5-Tetramethyl-2-t-butyl-4,5-di-hydrofuran
CID 12452577
4,4'-bi-4H-pyran, 4,4'-dimethyl-2,2',6,6'-tetrapropyl-
CID 91727305
4,4,6-Trimethyl-2,3-dihydropyran
CID 12417685
3,4,6-trimethyl-3,4-dihydro-2H-pyran
CID 20782065
2,2,3,3,5-Pentamethylfuran
CID 54526056

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-methyl-4H-pyran?
The IUPAC name of 2,4-ditert-butyl-6-methyl-4H-pyran (CID 20764461) is 2,4-ditert-butyl-6-methyl-4H-pyran.
What is the SMILES notation for 2,4-ditert-butyl-6-methyl-4H-pyran?
The canonical SMILES for 2,4-ditert-butyl-6-methyl-4H-pyran is CC1=CC(C(C)(C)C)C=C(C(C)(C)C)O1.
What is the InChIKey of 2,4-ditert-butyl-6-methyl-4H-pyran?
The InChIKey is CZFGQXYIJJSLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-8-11(13(2,3)4)9-12(15-10)14(5,6)7/h8-9,11H,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-methyl-4H-pyran?
2,4-ditert-butyl-6-methyl-4H-pyran has a molecular weight of 208.34 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-methyl-4H-pyran is sourced from PubChem (CID 20764461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).