(2R,4R)-2-(oxan-4-yl)oxan-4-ol

C10H18O3 — CID 95335722

IUPAC(2R,4R)-2-(oxan-4-yl)oxan-4-ol
SMILESO[C@@H]1CCO[C@@H](C2CCOCC2)C1
InChIInChI=1S/C10H18O3/c11-9-3-6-13-10(7-9)8-1-4-12-5-2-8/h8-11H,1-7H2/t9-,10-/m1/s1
InChIKeyJYBCACTYSAAUPM-NXEZZACHSA-N
MW186.25 g/mol
LogP0.95
Rot. Bonds1

About (2R,4R)-2-(oxan-4-yl)oxan-4-ol

(2R,4R)-2-(oxan-4-yl)oxan-4-ol (PubChem CID 95335722) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,4R)-2-(oxan-4-yl)oxan-4-ol.

Molecular Properties

Compound Name(2R,4R)-2-(oxan-4-yl)oxan-4-ol
PubChem CID95335722
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,4R)-2-(oxan-4-yl)oxan-4-ol
SMILESO[C@@H]1CCO[C@@H](C2CCOCC2)C1
InChIInChI=1S/C10H18O3/c11-9-3-6-13-10(7-9)8-1-4-12-5-2-8/h8-11H,1-7H2/t9-,10-/m1/s1
InChIKeyJYBCACTYSAAUPM-NXEZZACHSA-N
XLogP0.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(oxan-4-yl)oxan-4-ol?
The IUPAC name of (2R,4R)-2-(oxan-4-yl)oxan-4-ol (CID 95335722) is (2R,4R)-2-(oxan-4-yl)oxan-4-ol.
What is the SMILES notation for (2R,4R)-2-(oxan-4-yl)oxan-4-ol?
The canonical SMILES for (2R,4R)-2-(oxan-4-yl)oxan-4-ol is O[C@@H]1CCO[C@@H](C2CCOCC2)C1.
What is the InChIKey of (2R,4R)-2-(oxan-4-yl)oxan-4-ol?
The InChIKey is JYBCACTYSAAUPM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O3/c11-9-3-6-13-10(7-9)8-1-4-12-5-2-8/h8-11H,1-7H2/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-2-(oxan-4-yl)oxan-4-ol?
(2R,4R)-2-(oxan-4-yl)oxan-4-ol has a molecular weight of 186.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(oxan-4-yl)oxan-4-ol is sourced from PubChem (CID 95335722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).