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

C12H18O4 — CID 134150679

IUPAC6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one
SMILESCCC[C@@H](O)Cc1oc(=O)cc(OC)c1C
InChIInChI=1S/C12H18O4/c1-4-5-9(13)6-11-8(2)10(15-3)7-12(14)16-11/h7,9,13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyOKNIHUHBCHHCOI-SECBINFHSA-N
MW226.27 g/mol
LogP1.66
Rot. Bonds5

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

6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one (PubChem CID 134150679) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one
PubChem CID134150679
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one
SMILESCCC[C@@H](O)Cc1oc(=O)cc(OC)c1C
InChIInChI=1S/C12H18O4/c1-4-5-9(13)6-11-8(2)10(15-3)7-12(14)16-11/h7,9,13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyOKNIHUHBCHHCOI-SECBINFHSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Phomopsinone A
CID 101578423
Phomopsinone B
CID 57387252
Chlamydospordiol
CID 190904
2H-Pyran-2-one, 5-(hydroxymethyl)-4-methoxy-6-propyl-
CID 10352700
ACRL Toxin II
CID 131751033
6-hydroxy-7-epi-phomopsinone A
CID 134150054
Pyrenocine L
CID 76309266
Pyrenocine J
CID 76312966
Pyrenocine M
CID 76331085
Daldiniapyrone
CID 10912069
Tricladolide C
CID 11564943
6-[(1R)-1-Hydroxypentyl]-4-methoxy-2H-pyran-2-one
CID 23872095

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one?
The IUPAC name of 6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one (CID 134150679) is 6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one.
What is the SMILES notation for 6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one?
The canonical SMILES for 6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one is CCC[C@@H](O)Cc1oc(=O)cc(OC)c1C.
What is the InChIKey of 6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one?
The InChIKey is OKNIHUHBCHHCOI-SECBINFHSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-5-9(13)6-11-8(2)10(15-3)7-12(14)16-11/h7,9,13H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of 6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one?
6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one has a molecular weight of 226.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxypentyl]-4-methoxy-5-methylpyran-2-one is sourced from PubChem (CID 134150679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).