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

C11H18O3 — CID 164676540

IUPAC2-hydroxy-6,6-dipropyl-2H-pyran-5-one
SMILESCCCC1(CCC)OC(O)C=CC1=O
InChIInChI=1S/C11H18O3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14-11/h5-6,10,13H,3-4,7-8H2,1-2H3
InChIKeyAJZCIXNYPKYQQX-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.80
Rot. Bonds4

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

2-hydroxy-6,6-dipropyl-2H-pyran-5-one (PubChem CID 164676540) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-hydroxy-6,6-dipropyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-6,6-dipropyl-2H-pyran-5-one
PubChem CID164676540
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-hydroxy-6,6-dipropyl-2H-pyran-5-one
SMILESCCCC1(CCC)OC(O)C=CC1=O
InChIInChI=1S/C11H18O3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14-11/h5-6,10,13H,3-4,7-8H2,1-2H3
InChIKeyAJZCIXNYPKYQQX-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
CID 13929384
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
2-Hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 11052277
(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one
CID 14041215
(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
6-butyl-2-hydroxy-2H-pyran-5-one
CID 14641211
7-Hydroxy-6-oxaspiro[4.5]dec-8-en-10-one
CID 53391906
6-Hydroxy-2-(4-methylpent-4-en-1-yl)-2H-pyran-3(6H)-one
CID 71410670
(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 129364170
2-hydroxy-6-(2-methylpropyl)-2H-pyran-5-one
CID 130036311

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6,6-dipropyl-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-6,6-dipropyl-2H-pyran-5-one (CID 164676540) is 2-hydroxy-6,6-dipropyl-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-6,6-dipropyl-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-6,6-dipropyl-2H-pyran-5-one is CCCC1(CCC)OC(O)C=CC1=O.
What is the InChIKey of 2-hydroxy-6,6-dipropyl-2H-pyran-5-one?
The InChIKey is AJZCIXNYPKYQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14-11/h5-6,10,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-hydroxy-6,6-dipropyl-2H-pyran-5-one?
2-hydroxy-6,6-dipropyl-2H-pyran-5-one has a molecular weight of 198.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6,6-dipropyl-2H-pyran-5-one is sourced from PubChem (CID 164676540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).