3-tert-butyl-6-methyl-2H-pyran

C10H16O — CID 565288

IUPAC3-tert-butyl-6-methyl-2H-pyran
SMILESCC1=CC=C(C(C)(C)C)CO1
InChIInChI=1S/C10H16O/c1-8-5-6-9(7-11-8)10(2,3)4/h5-6H,7H2,1-4H3
InChIKeyYAFONRRVEZFNQP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.89
Rot. Bonds

About 3-tert-butyl-6-methyl-2H-pyran

3-tert-butyl-6-methyl-2H-pyran (PubChem CID 565288) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-2H-pyran.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-2H-pyran
PubChem CID565288
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-tert-butyl-6-methyl-2H-pyran
SMILESCC1=CC=C(C(C)(C)C)CO1
InChIInChI=1S/C10H16O/c1-8-5-6-9(7-11-8)10(2,3)4/h5-6H,7H2,1-4H3
InChIKeyYAFONRRVEZFNQP-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-6-methyl-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-2H-pyran?
The IUPAC name of 3-tert-butyl-6-methyl-2H-pyran (CID 565288) is 3-tert-butyl-6-methyl-2H-pyran.
What is the SMILES notation for 3-tert-butyl-6-methyl-2H-pyran?
The canonical SMILES for 3-tert-butyl-6-methyl-2H-pyran is CC1=CC=C(C(C)(C)C)CO1.
What is the InChIKey of 3-tert-butyl-6-methyl-2H-pyran?
The InChIKey is YAFONRRVEZFNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-5-6-9(7-11-8)10(2,3)4/h5-6H,7H2,1-4H3.
What are the key properties of 3-tert-butyl-6-methyl-2H-pyran?
3-tert-butyl-6-methyl-2H-pyran has a molecular weight of 152.24 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-2H-pyran is sourced from PubChem (CID 565288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).