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

C6H8O4 — CID 170775277

IUPAC(6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one
SMILESC[C@@]1(O)OCC=C(O)C1=O
InChIInChI=1S/C6H8O4/c1-6(9)5(8)4(7)2-3-10-6/h2,7,9H,3H2,1H3/t6-/m1/s1
InChIKeyMAJMTWUGPSQOCM-ZCFIWIBFSA-N
MW144.13 g/mol
LogP-0.26
Rot. Bonds

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

(6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one (PubChem CID 170775277) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one
PubChem CID170775277
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one
SMILESC[C@@]1(O)OCC=C(O)C1=O
InChIInChI=1S/C6H8O4/c1-6(9)5(8)4(7)2-3-10-6/h2,7,9H,3H2,1H3/t6-/m1/s1
InChIKeyMAJMTWUGPSQOCM-ZCFIWIBFSA-N
XLogP-0.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-4,6-dimethoxy-6-methyl-2H-pyran-5-one
CID 162891934
2,4-Dimethoxy-2-methyl-6H-pyran-3-one
CID 85526577
6-hydroxy-2,6-dimethyl-2H-pyran-3(6H)-one
CID 11040796
4,6-Dimethoxy-2-methyl-2H-pyran-3(6H)-one
CID 20348359
Hydroxy-2-methyl-2h-pyran-3-(6h)one
CID 129720139
2,4-Dihydroxy-2-methyl-2H-pyran-3(6H)-one
CID 15120158
4-hydroxy-6-methyl-2H-pyran-5-one
CID 18981584
4,6-dihydroxy-2H-pyran-5-one
CID 20246477
2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one
CID 56635827
6-Hydroxy-2,4,6-trimethoxycyclohexa-2,4-dien-1-one
CID 70057648
2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one
CID 70598170
ethane;4-hydroxy-2,6-dimethyl-2H-pyran-5-one
CID 144397427

Frequently Asked Questions

What is the IUPAC name of (6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one?
The IUPAC name of (6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one (CID 170775277) is (6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for (6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for (6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one is C[C@@]1(O)OCC=C(O)C1=O.
What is the InChIKey of (6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one?
The InChIKey is MAJMTWUGPSQOCM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8O4/c1-6(9)5(8)4(7)2-3-10-6/h2,7,9H,3H2,1H3/t6-/m1/s1.
What are the key properties of (6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one?
(6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one has a molecular weight of 144.13 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4,6-dihydroxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 170775277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).