6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one

C11H16O4 — CID 23872095

IUPAC6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one
SMILESCCCC[C@@H](O)c1cc(OC)cc(=O)o1
InChIInChI=1S/C11H16O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h6-7,9,12H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyFWFKXWDSIIPMJT-SECBINFHSA-N
MW212.25 g/mol
LogP1.87
Rot. Bonds5

About 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one

6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one (PubChem CID 23872095) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one
PubChem CID23872095
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one
SMILESCCCC[C@@H](O)c1cc(OC)cc(=O)o1
InChIInChI=1S/C11H16O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h6-7,9,12H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyFWFKXWDSIIPMJT-SECBINFHSA-N
XLogP1.87
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-((1S)-1-hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
CID 182201
Pectinolide C
CID 10038670
6-(1-Hydroxypentyl)pyran-2-one
CID 10607502
Pectinolide B
CID 10400831
6-hydroxy-7-epi-phomopsinone A
CID 134150054
Annularin A
CID 637272
Pyrenocine L
CID 76309266
Pyrenocine M
CID 76331085
[(Z,3R)-1-[(2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]hept-1-en-3-yl] acetate
CID 155539444
(2S,3S)-3-hydroxy-2-[(Z,3S)-3-hydroxyhept-1-enyl]-2,3-dihydropyran-6-one
CID 155539748
Delitpyrone A
CID 38357485
5-Butyl-6-(hydroxymethyl)-4-methoxy-2h-pyran-2-one
CID 102367318

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one?
The IUPAC name of 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one (CID 23872095) is 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one is CCCC[C@@H](O)c1cc(OC)cc(=O)o1.
What is the InChIKey of 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one?
The InChIKey is FWFKXWDSIIPMJT-SECBINFHSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h6-7,9,12H,3-5H2,1-2H3/t9-/m1/s1.
What are the key properties of 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one?
6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one has a molecular weight of 212.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-hydroxypentyl]-4-methoxypyran-2-one is sourced from PubChem (CID 23872095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).