6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one

C12H18O4 — CID 172676199

IUPAC6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one
SMILESCCCC[C@@H](O)c1oc(=O)cc(OC)c1C
InChIInChI=1S/C12H18O4/c1-4-5-6-9(13)12-8(2)10(15-3)7-11(14)16-12/h7,9,13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyVOEFYKJIFALCEP-SECBINFHSA-N
MW226.27 g/mol
LogP2.18
Rot. Bonds5

About 6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one

6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one (PubChem CID 172676199) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one.

Molecular Properties

Compound Name6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one
PubChem CID172676199
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one
SMILESCCCC[C@@H](O)c1oc(=O)cc(OC)c1C
InChIInChI=1S/C12H18O4/c1-4-5-6-9(13)12-8(2)10(15-3)7-11(14)16-12/h7,9,13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyVOEFYKJIFALCEP-SECBINFHSA-N
XLogP2.18
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-Hydroxypentyl)pyran-2-one
CID 10607502
6-hydroxy-7-epi-phomopsinone A
CID 134150054
Annularin A
CID 637272
Pyrenocine L
CID 76309266
6-[(1R)-1-Hydroxypentyl]-4-methoxy-2H-pyran-2-one
CID 23872095
Delitpyrone A
CID 38357485
(S)-6-(2,9-dihydroxynonyl)-4-hydroxy-3-methyl-2H-pyran-2-one
CID 76328395
Pyrenocine M
CID 76331085
5-Butyl-6-(hydroxymethyl)-4-methoxy-2h-pyran-2-one
CID 102367318
(+/-)-7-Hyrdoxypyrenocine M
CID 134138517
(+/-)-Pyrenocine Q
CID 134143324
Pyrenocine R
CID 134143541

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one?
The IUPAC name of 6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one (CID 172676199) is 6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one.
What is the SMILES notation for 6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one?
The canonical SMILES for 6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one is CCCC[C@@H](O)c1oc(=O)cc(OC)c1C.
What is the InChIKey of 6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one?
The InChIKey is VOEFYKJIFALCEP-SECBINFHSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-5-6-9(13)12-8(2)10(15-3)7-11(14)16-12/h7,9,13H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of 6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one?
6-[(1R)-1-hydroxypentyl]-4-methoxy-5-methylpyran-2-one has a molecular weight of 226.27 g/mol, XLogP of 2.18, 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-methoxy-5-methylpyran-2-one is sourced from PubChem (CID 172676199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).