4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one

C12H18O3 — CID 163006550

IUPAC4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one
SMILESCCC[C@@H](C)c1oc(=O)cc(OC)c1C
InChIInChI=1S/C12H18O3/c1-5-6-8(2)12-9(3)10(14-4)7-11(13)15-12/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyDCIVCXJJSXPMID-MRVPVSSYSA-N
MW210.27 g/mol
LogP2.86
Rot. Bonds4

About 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one

4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one (PubChem CID 163006550) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one
PubChem CID163006550
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one
SMILESCCC[C@@H](C)c1oc(=O)cc(OC)c1C
InChIInChI=1S/C12H18O3/c1-5-6-8(2)12-9(3)10(14-4)7-11(13)15-12/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyDCIVCXJJSXPMID-MRVPVSSYSA-N
XLogP2.86
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dihydro-3,6-dimethylbenzofuran-2(4H)-one
CID 3018936
(6R)-5,6-Dihydro-3,6-dimethyl-2(4H)-benzofuranone
CID 71587277
Methyl (2z,6r,8r,9e)-3,6-epoxy-4,6,8-triethyl-2,4,9-dodecatrienoate
CID 11573100
Placidene C
CID 11481458
2H-Pyran-2-one, 4-methoxy-5-methyl-6-propyl-
CID 11309896
2H-Pyran-2-one, 4-methyl-6-pentyl-
CID 11401122
4-Hydroxy-5-methyl-6-pentan-2-ylpyran-2-one
CID 54738021
4-Methyl-6-isobutyl-2-pyranone
CID 6429146
Violapyrone A
CID 72947654
6-Ethyl-3-(2-methylpropyl)-2H-pyran-2-one
CID 167669
4-Methoxy-3-methyl-6-(4-methylpentyl)pyran-2-one
CID 146684006
Fistupyrone
CID 54684510

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one?
The IUPAC name of 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one (CID 163006550) is 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one.
What is the SMILES notation for 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one?
The canonical SMILES for 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one is CCC[C@@H](C)c1oc(=O)cc(OC)c1C.
What is the InChIKey of 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one?
The InChIKey is DCIVCXJJSXPMID-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-6-8(2)12-9(3)10(14-4)7-11(13)15-12/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one?
4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one has a molecular weight of 210.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-6-[(2R)-pentan-2-yl]pyran-2-one is sourced from PubChem (CID 163006550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).