(2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane

C12H26O6 — CID 3082166

IUPAC(2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane
SMILESCOC[C@H](OC)[C@@H](OC)[C@H](OC)[C@@H](COC)OC
InChIInChI=1S/C12H26O6/c1-13-7-9(15-3)11(17-5)12(18-6)10(16-4)8-14-2/h9-12H,7-8H2,1-6H3/t9-,10+,11-,12-/m1/s1
InChIKeyUJQZVTQJKNAPOQ-WRWGMCAJSA-N
MW266.33 g/mol
LogP0.34
Rot. Bonds11

About (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane

(2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane (PubChem CID 3082166) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane
PubChem CID3082166
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name(2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane
SMILESCOC[C@H](OC)[C@@H](OC)[C@H](OC)[C@@H](COC)OC
InChIInChI=1S/C12H26O6/c1-13-7-9(15-3)11(17-5)12(18-6)10(16-4)8-14-2/h9-12H,7-8H2,1-6H3/t9-,10+,11-,12-/m1/s1
InChIKeyUJQZVTQJKNAPOQ-WRWGMCAJSA-N
XLogP0.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane?
The IUPAC name of (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane (CID 3082166) is (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane.
What is the SMILES notation for (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane?
The canonical SMILES for (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane is COC[C@H](OC)[C@@H](OC)[C@H](OC)[C@@H](COC)OC.
What is the InChIKey of (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane?
The InChIKey is UJQZVTQJKNAPOQ-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H26O6/c1-13-7-9(15-3)11(17-5)12(18-6)10(16-4)8-14-2/h9-12H,7-8H2,1-6H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane?
(2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane has a molecular weight of 266.33 g/mol, XLogP of 0.34, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1,2,3,4,5,6-hexamethoxyhexane is sourced from PubChem (CID 3082166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).