(2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one

C8H12O4 — CID 170990689

IUPAC(2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one
SMILESCOC1=C[C@@H](C)O[C@H](OC)C1=O
InChIInChI=1S/C8H12O4/c1-5-4-6(10-2)7(9)8(11-3)12-5/h4-5,8H,1-3H3/t5-,8+/m1/s1
InChIKeyFZPAACPQPKSUDG-XRGYYRRGSA-N
MW172.18 g/mol
LogP0.48
Rot. Bonds2

About (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one

(2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one (PubChem CID 170990689) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one
PubChem CID170990689
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one
SMILESCOC1=C[C@@H](C)O[C@H](OC)C1=O
InChIInChI=1S/C8H12O4/c1-5-4-6(10-2)7(9)8(11-3)12-5/h4-5,8H,1-3H3/t5-,8+/m1/s1
InChIKeyFZPAACPQPKSUDG-XRGYYRRGSA-N
XLogP0.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171284
(4E,6R)-2-methoxy-4-methoxyimino-6-methyloxan-3-one
CID 121475911
(2S,6S)-4-chloro-2-methoxy-6-methyl-2H-pyran-5-one
CID 130891459
(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 5314441
2-ethyl-6-methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171277
(2R,4R,5R,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-one
CID 130993237
5-hydroxy-3-methoxy-5-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 12695569
2-methoxy-4-sulfanylcyclopent-2-en-1-one
CID 18736371
(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one
CID 101353726
methyl 5-methoxy-2-methyl-2,5-dihydrofuran-3-carboxylate
CID 135006582
3,4-dimethoxycyclobutane-1,2-dione
CID 52953770
3-methoxy-5-methyl-5-phenyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 580792

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one?
The IUPAC name of (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one (CID 170990689) is (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one.
What is the SMILES notation for (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one?
The canonical SMILES for (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one is COC1=C[C@@H](C)O[C@H](OC)C1=O.
What is the InChIKey of (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one?
The InChIKey is FZPAACPQPKSUDG-XRGYYRRGSA-N. The full InChI is InChI=1S/C8H12O4/c1-5-4-6(10-2)7(9)8(11-3)12-5/h4-5,8H,1-3H3/t5-,8+/m1/s1.
What are the key properties of (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one?
(2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one has a molecular weight of 172.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4,6-dimethoxy-2-methyl-2H-pyran-5-one is sourced from PubChem (CID 170990689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).