5-tert-butyl-2H-pyran

C9H14O — CID 89425236

IUPAC5-tert-butyl-2H-pyran
SMILESCC(C)(C)C1=COCC=C1
InChIInChI=1S/C9H14O/c1-9(2,3)8-5-4-6-10-7-8/h4-5,7H,6H2,1-3H3
InChIKeyGAMYKHFECZXQCP-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds

About 5-tert-butyl-2H-pyran

5-tert-butyl-2H-pyran (PubChem CID 89425236) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-tert-butyl-2H-pyran.

Molecular Properties

Compound Name5-tert-butyl-2H-pyran
PubChem CID89425236
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-tert-butyl-2H-pyran
SMILESCC(C)(C)C1=COCC=C1
InChIInChI=1S/C9H14O/c1-9(2,3)8-5-4-6-10-7-8/h4-5,7H,6H2,1-3H3
InChIKeyGAMYKHFECZXQCP-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2H-pyran?
The IUPAC name of 5-tert-butyl-2H-pyran (CID 89425236) is 5-tert-butyl-2H-pyran.
What is the SMILES notation for 5-tert-butyl-2H-pyran?
The canonical SMILES for 5-tert-butyl-2H-pyran is CC(C)(C)C1=COCC=C1.
What is the InChIKey of 5-tert-butyl-2H-pyran?
The InChIKey is GAMYKHFECZXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(2,3)8-5-4-6-10-7-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-tert-butyl-2H-pyran?
5-tert-butyl-2H-pyran has a molecular weight of 138.21 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2H-pyran is sourced from PubChem (CID 89425236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).