2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one

C22H36O4 — CID 158541928

IUPAC2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one
SMILESCC(C)C1=CC(=O)C(C(C)C)OC1.CC(C)C1=CC(=O)CC(C(C)C)O1
InChIInChI=1S/2C11H18O2/c1-7(2)10-5-9(12)6-11(13-10)8(3)4;1-7(2)9-5-10(12)11(8(3)4)13-6-9/h2*5,7-8,11H,6H2,1-4H3
InChIKeyHOPXQBJTFFPFHR-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.73
Rot. Bonds4

About 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one

2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one (PubChem CID 158541928) has the molecular formula C22H36O4 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one
PubChem CID158541928
Molecular FormulaC22H36O4
Molecular Weight364.53 g/mol
Exact Mass364.26
IUPAC Name2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one
SMILESCC(C)C1=CC(=O)C(C(C)C)OC1.CC(C)C1=CC(=O)CC(C(C)C)O1
InChIInChI=1S/2C11H18O2/c1-7(2)10-5-9(12)6-11(13-10)8(3)4;1-7(2)9-5-10(12)11(8(3)4)13-6-9/h2*5,7-8,11H,6H2,1-4H3
InChIKeyHOPXQBJTFFPFHR-UHFFFAOYSA-N
XLogP4.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one with MolForge

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Related Compounds

3-Methoxy-2-propan-2-yl-5-(propan-2-yloxymethyl)cyclohexa-2,5-diene-1,4-dione
CID 122183889
5-(Cyclohexyloxymethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183890
[(2S,3R)-2-tert-butyl-3-(2,2-dimethylpropanoyloxy)-4-oxo-2,3-dihydropyran-6-yl]methyl 2,2-dimethylpropanoate
CID 11983864
[(2S,3R)-3-(2,2-dimethylpropanoyloxy)-4-oxo-2-propan-2-yl-2,3-dihydropyran-6-yl]methyl 2,2-dimethylpropanoate
CID 164685492
1-(2-Acetyl-3,6-dimethyl-2,5-dihydropyran-6-yl)propane-1,2-dione
CID 19431999
2-[(3Z)-hexa-1,3,5-trien-2-yl]-6-[(3Z,6Z)-10-methoxy-8-methyl-5-oxo-3-prop-2-enoxydodeca-1,3,6-trien-4-yl]-3-methylpyran-4-one
CID 142047524
(2S,3R)-6-ethyl-3,5-dimethyl-2-[(E,4R)-4-methylhept-2-en-2-yl]-2,3-dihydropyran-4-one
CID 11323050
(2S,3R)-6-ethyl-3-methyl-2-[(E)-pent-2-en-2-yl]-2,3-dihydropyran-4-one
CID 45094871
[(2S,3R)-3-(2,2-dimethylpropanoyloxy)-4-oxo-2-propan-2-yl-3-prop-2-enyl-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 101419795

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one?
The IUPAC name of 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one (CID 158541928) is 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one.
What is the SMILES notation for 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one?
The canonical SMILES for 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one is CC(C)C1=CC(=O)C(C(C)C)OC1.CC(C)C1=CC(=O)CC(C(C)C)O1.
What is the InChIKey of 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one?
The InChIKey is HOPXQBJTFFPFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18O2/c1-7(2)10-5-9(12)6-11(13-10)8(3)4;1-7(2)9-5-10(12)11(8(3)4)13-6-9/h2*5,7-8,11H,6H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one?
2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one has a molecular weight of 364.53 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-2,3-dihydropyran-4-one;3,6-di(propan-2-yl)-2H-pyran-5-one is sourced from PubChem (CID 158541928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).