2-tert-butyl-6-methyl-2H-pyran-5-one

C10H16O2 — CID 66799576

IUPAC2-tert-butyl-6-methyl-2H-pyran-5-one
SMILESCC1OC(C(C)(C)C)C=CC1=O
InChIInChI=1S/C10H16O2/c1-7-8(11)5-6-9(12-7)10(2,3)4/h5-7,9H,1-4H3
InChIKeyBJYURGRWPDSRBW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds

About 2-tert-butyl-6-methyl-2H-pyran-5-one

2-tert-butyl-6-methyl-2H-pyran-5-one (PubChem CID 66799576) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-2H-pyran-5-one
PubChem CID66799576
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-tert-butyl-6-methyl-2H-pyran-5-one
SMILESCC1OC(C(C)(C)C)C=CC1=O
InChIInChI=1S/C10H16O2/c1-7-8(11)5-6-9(12-7)10(2,3)4/h5-7,9H,1-4H3
InChIKeyBJYURGRWPDSRBW-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-2H-pyran-5-one?
The IUPAC name of 2-tert-butyl-6-methyl-2H-pyran-5-one (CID 66799576) is 2-tert-butyl-6-methyl-2H-pyran-5-one.
What is the SMILES notation for 2-tert-butyl-6-methyl-2H-pyran-5-one?
The canonical SMILES for 2-tert-butyl-6-methyl-2H-pyran-5-one is CC1OC(C(C)(C)C)C=CC1=O.
What is the InChIKey of 2-tert-butyl-6-methyl-2H-pyran-5-one?
The InChIKey is BJYURGRWPDSRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-8(11)5-6-9(12-7)10(2,3)4/h5-7,9H,1-4H3.
What are the key properties of 2-tert-butyl-6-methyl-2H-pyran-5-one?
2-tert-butyl-6-methyl-2H-pyran-5-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 66799576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).