(2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane

C17H36O6 — CID 22882758

IUPAC(2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane
SMILESCOC[C@@H](OC)[C@@H](OC)[C@H](OC)[C@H](COC(C)CC(C)C)OC
InChIInChI=1S/C17H36O6/c1-12(2)9-13(3)23-11-15(20-6)17(22-8)16(21-7)14(19-5)10-18-4/h12-17H,9-11H2,1-8H3/t13?,14-,15+,16-,17-/m1/s1
InChIKeyZYWHYAOQRGSXJU-SLUKUZTOSA-N
MW336.47 g/mol
LogP2.14
Rot. Bonds14

About (2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane

(2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane (PubChem CID 22882758) has the molecular formula C17H36O6 and a molecular weight of 336.47 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane
PubChem CID22882758
Molecular FormulaC17H36O6
Molecular Weight336.47 g/mol
Exact Mass336.25
IUPAC Name(2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane
SMILESCOC[C@@H](OC)[C@@H](OC)[C@H](OC)[C@H](COC(C)CC(C)C)OC
InChIInChI=1S/C17H36O6/c1-12(2)9-13(3)23-11-15(20-6)17(22-8)16(21-7)14(19-5)10-18-4/h12-17H,9-11H2,1-8H3/t13?,14-,15+,16-,17-/m1/s1
InChIKeyZYWHYAOQRGSXJU-SLUKUZTOSA-N
XLogP2.14
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 52.14
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-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane?
The IUPAC name of (2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane (CID 22882758) is (2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane.
What is the SMILES notation for (2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane?
The canonical SMILES for (2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane is COC[C@@H](OC)[C@@H](OC)[C@H](OC)[C@H](COC(C)CC(C)C)OC.
What is the InChIKey of (2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane?
The InChIKey is ZYWHYAOQRGSXJU-SLUKUZTOSA-N. The full InChI is InChI=1S/C17H36O6/c1-12(2)9-13(3)23-11-15(20-6)17(22-8)16(21-7)14(19-5)10-18-4/h12-17H,9-11H2,1-8H3/t13?,14-,15+,16-,17-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane?
(2R,3R,4R,5S)-1,2,3,4,5-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane has a molecular weight of 336.47 g/mol, XLogP of 2.14, 14 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-pentamethoxy-6-(4-methylpentan-2-yloxy)hexane is sourced from PubChem (CID 22882758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).