(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one

C8H14O3 — CID 58594793

IUPAC(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one
SMILESC[C@@H]1[C@@H](O)[C@@H](C)C(=O)O[C@@H]1C
InChIInChI=1S/C8H14O3/c1-4-6(3)11-8(10)5(2)7(4)9/h4-7,9H,1-3H3/t4-,5+,6+,7+/m0/s1
InChIKeyWIPAYFJRYZXVMZ-BDVNFPICSA-N
MW158.20 g/mol
LogP0.56
Rot. Bonds

About (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one

(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one (PubChem CID 58594793) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one.

Molecular Properties

Compound Name(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one
PubChem CID58594793
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one
SMILESC[C@@H]1[C@@H](O)[C@@H](C)C(=O)O[C@@H]1C
InChIInChI=1S/C8H14O3/c1-4-6(3)11-8(10)5(2)7(4)9/h4-7,9H,1-3H3/t4-,5+,6+,7+/m0/s1
InChIKeyWIPAYFJRYZXVMZ-BDVNFPICSA-N
XLogP0.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one?
The IUPAC name of (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one (CID 58594793) is (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one.
What is the SMILES notation for (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one?
The canonical SMILES for (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one is C[C@@H]1[C@@H](O)[C@@H](C)C(=O)O[C@@H]1C.
What is the InChIKey of (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one?
The InChIKey is WIPAYFJRYZXVMZ-BDVNFPICSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6(3)11-8(10)5(2)7(4)9/h4-7,9H,1-3H3/t4-,5+,6+,7+/m0/s1.
What are the key properties of (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one?
(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one is sourced from PubChem (CID 58594793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).