6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one

C11H14O3 — CID 166446352

IUPAC6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=CC(O)OC1(C1CC1)C1CC1
InChIInChI=1S/C11H14O3/c12-9-5-6-10(13)14-11(9,7-1-2-7)8-3-4-8/h5-8,10,13H,1-4H2
InChIKeyVCHVJEJHRPMXOA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.02
Rot. Bonds2

About 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one

6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one (PubChem CID 166446352) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one
PubChem CID166446352
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=CC(O)OC1(C1CC1)C1CC1
InChIInChI=1S/C11H14O3/c12-9-5-6-10(13)14-11(9,7-1-2-7)8-3-4-8/h5-8,10,13H,1-4H2
InChIKeyVCHVJEJHRPMXOA-UHFFFAOYSA-N
XLogP1.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Hydroxy-6-oxaspiro[4.5]dec-8-en-10-one
CID 53391906
2-hydroxy-6-(2-methylpropyl)-2H-pyran-5-one
CID 130036311
2-hydroxy-6,6-dipropyl-2H-pyran-5-one
CID 164676540
6-cyclopropyl-2-hydroxy-2H-pyran-5-one
CID 163210253
6-but-3-enyl-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
CID 101465601
6,6-bis(but-3-enyl)-2-hydroxy-2H-pyran-5-one
CID 101465602
2-hydroxy-6-pent-4-enyl-6-prop-2-enyl-2H-pyran-5-one
CID 101465603
6-but-3-enyl-2-hydroxy-6-pent-4-enyl-2H-pyran-5-one
CID 101465604
2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one
CID 101465605
(2R,6R)-2-hydroxy-6-(2-methylpropyl)-2H-pyran-5-one
CID 124704421
(2S,6R)-2-hydroxy-6-(2-methylpropyl)-2H-pyran-5-one
CID 124704422
(2R,6S)-2-hydroxy-6-(2-methylpropyl)-2H-pyran-5-one
CID 124704536

Frequently Asked Questions

What is the IUPAC name of 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one?
The IUPAC name of 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one (CID 166446352) is 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one is O=C1C=CC(O)OC1(C1CC1)C1CC1.
What is the InChIKey of 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one?
The InChIKey is VCHVJEJHRPMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-9-5-6-10(13)14-11(9,7-1-2-7)8-3-4-8/h5-8,10,13H,1-4H2.
What are the key properties of 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one?
6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one has a molecular weight of 194.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 166446352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).