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

C10H16O3 — CID 164677066

IUPAC6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one
SMILESCC(C)(C)C1(C)OC(O)C=CC1=O
InChIInChI=1S/C10H16O3/c1-9(2,3)10(4)7(11)5-6-8(12)13-10/h5-6,8,12H,1-4H3
InChIKeyYMGADVDZDMJJLV-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.27
Rot. Bonds

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

6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one (PubChem CID 164677066) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one
PubChem CID164677066
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one
SMILESCC(C)(C)C1(C)OC(O)C=CC1=O
InChIInChI=1S/C10H16O3/c1-9(2,3)10(4)7(11)5-6-8(12)13-10/h5-6,8,12H,1-4H3
InChIKeyYMGADVDZDMJJLV-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
CID 13929384
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041218
2-tert-Butyl-6-hydroxy-2H-pyran-3(6H)-one
CID 14041220
(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one
CID 45139863
2,2-Diethyl-6-hydroxy-6-methylpyran-3-one
CID 135059633
2-hydroxy-6,6-dipropyl-2H-pyran-5-one
CID 164676540
5-Hydroxy-4-oxaspiro[2.5]oct-6-en-8-one
CID 166445396
6,6-diethyl-2-hydroxy-2H-pyran-5-one
CID 166445973
2-hydroxy-6-methyl-6-prop-2-enyl-2H-pyran-5-one
CID 176429015
2-hydroxy-6-methyl-6-(2-methylbut-3-en-2-yl)-2H-pyran-5-one
CID 176429019
(6R)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041219

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one?
The IUPAC name of 6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one (CID 164677066) is 6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for 6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for 6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one is CC(C)(C)C1(C)OC(O)C=CC1=O.
What is the InChIKey of 6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one?
The InChIKey is YMGADVDZDMJJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2,3)10(4)7(11)5-6-8(12)13-10/h5-6,8,12H,1-4H3.
What are the key properties of 6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one?
6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one has a molecular weight of 184.24 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-hydroxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 164677066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).