2,3-ditert-butyl-5-methyl-4H-pyran

C14H24O — CID 23402625

IUPAC2,3-ditert-butyl-5-methyl-4H-pyran
SMILESCC1=COC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H24O/c1-10-8-11(13(2,3)4)12(15-9-10)14(5,6)7/h9H,8H2,1-7H3
InChIKeyOCVMXUMGSJNZGA-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.66
Rot. Bonds

About 2,3-ditert-butyl-5-methyl-4H-pyran

2,3-ditert-butyl-5-methyl-4H-pyran (PubChem CID 23402625) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,3-ditert-butyl-5-methyl-4H-pyran.

Molecular Properties

Compound Name2,3-ditert-butyl-5-methyl-4H-pyran
PubChem CID23402625
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,3-ditert-butyl-5-methyl-4H-pyran
SMILESCC1=COC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H24O/c1-10-8-11(13(2,3)4)12(15-9-10)14(5,6)7/h9H,8H2,1-7H3
InChIKeyOCVMXUMGSJNZGA-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5-methyl-4H-pyran?
The IUPAC name of 2,3-ditert-butyl-5-methyl-4H-pyran (CID 23402625) is 2,3-ditert-butyl-5-methyl-4H-pyran.
What is the SMILES notation for 2,3-ditert-butyl-5-methyl-4H-pyran?
The canonical SMILES for 2,3-ditert-butyl-5-methyl-4H-pyran is CC1=COC(C(C)(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 2,3-ditert-butyl-5-methyl-4H-pyran?
The InChIKey is OCVMXUMGSJNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-8-11(13(2,3)4)12(15-9-10)14(5,6)7/h9H,8H2,1-7H3.
What are the key properties of 2,3-ditert-butyl-5-methyl-4H-pyran?
2,3-ditert-butyl-5-methyl-4H-pyran has a molecular weight of 208.34 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5-methyl-4H-pyran is sourced from PubChem (CID 23402625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).