(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one

C11H16O3 — CID 45139863

IUPAC(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one
SMILESC=CC(C)(C)[C@H]1OC(C)(O)C=CC1=O
InChIInChI=1S/C11H16O3/c1-5-10(2,3)9-8(12)6-7-11(4,13)14-9/h5-7,9,13H,1H2,2-4H3/t9-,11?/m0/s1
InChIKeyZAFQGOAOPZWDNX-FTNKSUMCSA-N
MW196.25 g/mol
LogP1.43
Rot. Bonds2

About (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one

(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one (PubChem CID 45139863) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one.

Molecular Properties

Compound Name(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one
PubChem CID45139863
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one
SMILESC=CC(C)(C)[C@H]1OC(C)(O)C=CC1=O
InChIInChI=1S/C11H16O3/c1-5-10(2,3)9-8(12)6-7-11(4,13)14-9/h5-7,9,13H,1H2,2-4H3/t9-,11?/m0/s1
InChIKeyZAFQGOAOPZWDNX-FTNKSUMCSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2,6-dimethyl-2H-pyran-3(6H)-one
CID 11040796
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
6-Hydroxy-6-methyl-2-propan-2-ylpyran-3-one
CID 11194577
(2R,6S)-6-hydroxy-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975691
(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
(2S)-2-[(2S)-but-3-en-2-yl]-6-hydroxy-6-methylpyran-3-one
CID 45139862
(2R)-6-hydroxy-6-methyl-2-prop-2-enylpyran-3-one
CID 130623308
2,6-Diethyl-6-hydroxy-2-methylpyran-3-one
CID 134860262
(2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one
CID 134860607
2,2-Diethyl-6-hydroxy-6-methylpyran-3-one
CID 135059633
6-Hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one
CID 164676822

Frequently Asked Questions

What is the IUPAC name of (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one?
The IUPAC name of (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one (CID 45139863) is (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one.
What is the SMILES notation for (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one?
The canonical SMILES for (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one is C=CC(C)(C)[C@H]1OC(C)(O)C=CC1=O.
What is the InChIKey of (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one?
The InChIKey is ZAFQGOAOPZWDNX-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-10(2,3)9-8(12)6-7-11(4,13)14-9/h5-7,9,13H,1H2,2-4H3/t9-,11?/m0/s1.
What are the key properties of (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one?
(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one has a molecular weight of 196.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one is sourced from PubChem (CID 45139863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).