6-butyl-2-hydroxy-2H-pyran-5-one

C9H14O3 — CID 14641211

IUPAC6-butyl-2-hydroxy-2H-pyran-5-one
SMILESCCCCC1OC(O)C=CC1=O
InChIInChI=1S/C9H14O3/c1-2-3-4-8-7(10)5-6-9(11)12-8/h5-6,8-9,11H,2-4H2,1H3
InChIKeyZPUDKTBYMPRSHL-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.02
Rot. Bonds3

About 6-butyl-2-hydroxy-2H-pyran-5-one

6-butyl-2-hydroxy-2H-pyran-5-one (PubChem CID 14641211) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-butyl-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name6-butyl-2-hydroxy-2H-pyran-5-one
PubChem CID14641211
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name6-butyl-2-hydroxy-2H-pyran-5-one
SMILESCCCCC1OC(O)C=CC1=O
InChIInChI=1S/C9H14O3/c1-2-3-4-8-7(10)5-6-9(11)12-8/h5-6,8-9,11H,2-4H2,1H3
InChIKeyZPUDKTBYMPRSHL-UHFFFAOYSA-N
XLogP1.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-3-en-5-one
CID 17757387
(2R,6R,8S)-2-hydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-3-en-5-one
CID 134139440
(2S,6S,8R)-2-hydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-3-en-5-one
CID 134142246
2-Ethyl-6-hydroxy-2H-pyran-3(6H)-one
CID 337011
6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
6-Butyl-5-oxo-5,6-dihydro-2H-pyran-2-yl acetate
CID 20039209
L-aculose
CID 71407800
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
2-hydroxy-4,6-dimethyl-2H-pyran-5-one
CID 135035537
6-hexyl-2-hydroxy-2H-pyran-5-one
CID 10798022
Ctk0I7202
CID 11029859

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-hydroxy-2H-pyran-5-one?
The IUPAC name of 6-butyl-2-hydroxy-2H-pyran-5-one (CID 14641211) is 6-butyl-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for 6-butyl-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for 6-butyl-2-hydroxy-2H-pyran-5-one is CCCCC1OC(O)C=CC1=O.
What is the InChIKey of 6-butyl-2-hydroxy-2H-pyran-5-one?
The InChIKey is ZPUDKTBYMPRSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-4-8-7(10)5-6-9(11)12-8/h5-6,8-9,11H,2-4H2,1H3.
What are the key properties of 6-butyl-2-hydroxy-2H-pyran-5-one?
6-butyl-2-hydroxy-2H-pyran-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 14641211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).