(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one

C8H14O4 — CID 143150247

IUPAC(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
SMILESCO[C@H]1C[C@@](C)(O)C(=O)[C@H](C)O1
InChIInChI=1S/C8H14O4/c1-5-7(9)8(2,10)4-6(11-3)12-5/h5-6,10H,4H2,1-3H3/t5-,6+,8+/m0/s1
InChIKeyCPCJABMPJOQYNN-SHYZEUOFSA-N
MW174.20 g/mol
LogP0.09
Rot. Bonds1

About (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one

(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one (PubChem CID 143150247) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one.

Molecular Properties

Compound Name(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
PubChem CID143150247
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
SMILESCO[C@H]1C[C@@](C)(O)C(=O)[C@H](C)O1
InChIInChI=1S/C8H14O4/c1-5-7(9)8(2,10)4-6(11-3)12-5/h5-6,10H,4H2,1-3H3/t5-,6+,8+/m0/s1
InChIKeyCPCJABMPJOQYNN-SHYZEUOFSA-N
XLogP0.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one with MolForge

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Related Compounds

4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol
CID 143759548
6-methoxy-2-methyloxan-3-one
CID 13011795
(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147
(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol
CID 22887274
(2R,4S,6S)-4,6-dimethoxy-2-methyloxan-3-one
CID 130909521
5-ethenyl-7-methoxy-1,6-dioxaspiro[2.5]octan-4-ol
CID 134385542
(3R,4R,5R,7S)-5-ethenyl-7-methoxy-1,6-dioxaspiro[2.5]octan-4-ol
CID 163791917
[(2S,3S,4R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
CID 117066528
(3R,5S)-5-methoxy-3-methyldioxolan-3-ol
CID 11412410
N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide
CID 163053730
(1S)-1-[(6S)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-5-yl]ethanol
CID 23726589
(5R)-2-methoxy-5-methyloxolane
CID 70228275

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one?
The IUPAC name of (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one (CID 143150247) is (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one.
What is the SMILES notation for (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one?
The canonical SMILES for (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one is CO[C@H]1C[C@@](C)(O)C(=O)[C@H](C)O1.
What is the InChIKey of (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one?
The InChIKey is CPCJABMPJOQYNN-SHYZEUOFSA-N. The full InChI is InChI=1S/C8H14O4/c1-5-7(9)8(2,10)4-6(11-3)12-5/h5-6,10H,4H2,1-3H3/t5-,6+,8+/m0/s1.
What are the key properties of (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one?
(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one has a molecular weight of 174.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one is sourced from PubChem (CID 143150247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).