6-hydroxy-2,2-dimethyl-6-propylpyran-3-one

C10H16O3 — CID 135075746

IUPAC6-hydroxy-2,2-dimethyl-6-propylpyran-3-one
SMILESCCCC1(O)C=CC(=O)C(C)(C)O1
InChIInChI=1S/C10H16O3/c1-4-6-10(12)7-5-8(11)9(2,3)13-10/h5,7,12H,4,6H2,1-3H3
InChIKeyWEJJSZVXTYZILO-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds2

About 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one

6-hydroxy-2,2-dimethyl-6-propylpyran-3-one (PubChem CID 135075746) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one.

Molecular Properties

Compound Name6-hydroxy-2,2-dimethyl-6-propylpyran-3-one
PubChem CID135075746
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6-hydroxy-2,2-dimethyl-6-propylpyran-3-one
SMILESCCCC1(O)C=CC(=O)C(C)(C)O1
InChIInChI=1S/C10H16O3/c1-4-6-10(12)7-5-8(11)9(2,3)13-10/h5,7,12H,4,6H2,1-3H3
InChIKeyWEJJSZVXTYZILO-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Hydroxy-2,2,6-trimethyl-2H-pyran-3(6H)-one
CID 11126499
(2R,6S)-6-hydroxy-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975691
2,6-Diethyl-6-hydroxy-2-methylpyran-3-one
CID 134860262
6-Ethyl-6-hydroxy-2,2-dimethylpyran-3-one
CID 135058249
6-Butyl-6-hydroxy-2,2-dimethylpyran-3-one
CID 135058375
2,2-Diethyl-6-hydroxy-6-methylpyran-3-one
CID 135059633
1-Hydroxy-5-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 14087803
5-Butyl-1-hydroxy-8-oxabicyclo(3.2.1)octa-3,6-dien-2-one
CID 14087805
4-Hydroxy-6-methoxy-2,2,6-trimethylpyran-3-one
CID 11084563
(2R,6S)-6-but-3-enyl-6-hydroxy-2-propan-2-ylpyran-3-one
CID 11974422
5-Ethenyl-1-hydroxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 14087804
6-Hydroperoxy-2,2,6-trimethylpyran-3-one
CID 15526397

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one?
The IUPAC name of 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one (CID 135075746) is 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one.
What is the SMILES notation for 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one?
The canonical SMILES for 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one is CCCC1(O)C=CC(=O)C(C)(C)O1.
What is the InChIKey of 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one?
The InChIKey is WEJJSZVXTYZILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6-10(12)7-5-8(11)9(2,3)13-10/h5,7,12H,4,6H2,1-3H3.
What are the key properties of 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one?
6-hydroxy-2,2-dimethyl-6-propylpyran-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2-dimethyl-6-propylpyran-3-one is sourced from PubChem (CID 135075746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).