(2R,5S)-6-methoxyhexane-1,2,5-triol

C7H16O4 — CID 130342864

IUPAC(2R,5S)-6-methoxyhexane-1,2,5-triol
SMILESCOC[C@@H](O)CC[C@@H](O)CO
InChIInChI=1S/C7H16O4/c1-11-5-7(10)3-2-6(9)4-8/h6-10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyOKRYIFVJFSLMCQ-RQJHMYQMSA-N
MW164.20 g/mol
LogP-0.87
Rot. Bonds6

About (2R,5S)-6-methoxyhexane-1,2,5-triol

(2R,5S)-6-methoxyhexane-1,2,5-triol (PubChem CID 130342864) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2R,5S)-6-methoxyhexane-1,2,5-triol.

Molecular Properties

Compound Name(2R,5S)-6-methoxyhexane-1,2,5-triol
PubChem CID130342864
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name(2R,5S)-6-methoxyhexane-1,2,5-triol
SMILESCOC[C@@H](O)CC[C@@H](O)CO
InChIInChI=1S/C7H16O4/c1-11-5-7(10)3-2-6(9)4-8/h6-10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyOKRYIFVJFSLMCQ-RQJHMYQMSA-N
XLogP-0.87
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methoxy-5-methyloctan-2-ol
CID 62320776
1,5-dimethoxypentane-2,4-diol
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CID 115345876
6-methoxyhexane-1,2,4,5-tetrol
CID 123365774
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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-6-methoxyhexane-1,2,5-triol?
The IUPAC name of (2R,5S)-6-methoxyhexane-1,2,5-triol (CID 130342864) is (2R,5S)-6-methoxyhexane-1,2,5-triol.
What is the SMILES notation for (2R,5S)-6-methoxyhexane-1,2,5-triol?
The canonical SMILES for (2R,5S)-6-methoxyhexane-1,2,5-triol is COC[C@@H](O)CC[C@@H](O)CO.
What is the InChIKey of (2R,5S)-6-methoxyhexane-1,2,5-triol?
The InChIKey is OKRYIFVJFSLMCQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H16O4/c1-11-5-7(10)3-2-6(9)4-8/h6-10H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (2R,5S)-6-methoxyhexane-1,2,5-triol?
(2R,5S)-6-methoxyhexane-1,2,5-triol has a molecular weight of 164.20 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-6-methoxyhexane-1,2,5-triol is sourced from PubChem (CID 130342864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).