3-tert-butyl-5,6-dimethyl-2H-pyran

C11H18O — CID 21027942

IUPAC3-tert-butyl-5,6-dimethyl-2H-pyran
SMILESCC1=C(C)OCC(C(C)(C)C)=C1
InChIInChI=1S/C11H18O/c1-8-6-10(11(3,4)5)7-12-9(8)2/h6H,7H2,1-5H3
InChIKeySACNGTDRHXMMEX-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.28
Rot. Bonds

About 3-tert-butyl-5,6-dimethyl-2H-pyran

3-tert-butyl-5,6-dimethyl-2H-pyran (PubChem CID 21027942) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-tert-butyl-5,6-dimethyl-2H-pyran.

Molecular Properties

Compound Name3-tert-butyl-5,6-dimethyl-2H-pyran
PubChem CID21027942
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-tert-butyl-5,6-dimethyl-2H-pyran
SMILESCC1=C(C)OCC(C(C)(C)C)=C1
InChIInChI=1S/C11H18O/c1-8-6-10(11(3,4)5)7-12-9(8)2/h6H,7H2,1-5H3
InChIKeySACNGTDRHXMMEX-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-5,6-dimethyl-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-5,6-dimethyl-2H-pyran?
The IUPAC name of 3-tert-butyl-5,6-dimethyl-2H-pyran (CID 21027942) is 3-tert-butyl-5,6-dimethyl-2H-pyran.
What is the SMILES notation for 3-tert-butyl-5,6-dimethyl-2H-pyran?
The canonical SMILES for 3-tert-butyl-5,6-dimethyl-2H-pyran is CC1=C(C)OCC(C(C)(C)C)=C1.
What is the InChIKey of 3-tert-butyl-5,6-dimethyl-2H-pyran?
The InChIKey is SACNGTDRHXMMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-6-10(11(3,4)5)7-12-9(8)2/h6H,7H2,1-5H3.
What are the key properties of 3-tert-butyl-5,6-dimethyl-2H-pyran?
3-tert-butyl-5,6-dimethyl-2H-pyran has a molecular weight of 166.26 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,6-dimethyl-2H-pyran is sourced from PubChem (CID 21027942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).