6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one

C10H16O3 — CID 164676822

IUPAC6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one
SMILESCC(C)CC1OC(C)(O)C=CC1=O
InChIInChI=1S/C10H16O3/c1-7(2)6-9-8(11)4-5-10(3,12)13-9/h4-5,7,9,12H,6H2,1-3H3
InChIKeyACGYZMJISYUZER-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds2

About 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one

6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one (PubChem CID 164676822) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one
PubChem CID164676822
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one
SMILESCC(C)CC1OC(C)(O)C=CC1=O
InChIInChI=1S/C10H16O3/c1-7(2)6-9-8(11)4-5-10(3,12)13-9/h4-5,7,9,12H,6H2,1-3H3
InChIKeyACGYZMJISYUZER-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
CID 53980891
CID 53980891
4-(3-Hydroxyprop-1-enyl)-6-methoxycyclohex-2-en-1-one
CID 54177069
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
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
(2S)-2-[(2S)-but-3-en-2-yl]-6-hydroxy-6-methylpyran-3-one
CID 45139862
(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one
CID 45139863
3-(5-Methoxy-4-oxocyclohex-2-en-1-yl)prop-2-enyl acetate
CID 90725405
2-hydroxy-6-(2-methylpropyl)-2H-pyran-5-one
CID 130036311
(2R)-6-hydroxy-6-methyl-2-prop-2-enylpyran-3-one
CID 130623308

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one?
The IUPAC name of 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one (CID 164676822) is 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one.
What is the SMILES notation for 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one?
The canonical SMILES for 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one is CC(C)CC1OC(C)(O)C=CC1=O.
What is the InChIKey of 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one?
The InChIKey is ACGYZMJISYUZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)6-9-8(11)4-5-10(3,12)13-9/h4-5,7,9,12H,6H2,1-3H3.
What are the key properties of 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one?
6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one is sourced from PubChem (CID 164676822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).