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

C22H46O6 — CID 22882760

IUPAC(2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane
SMILESCO[C@@H]([C@H](OC)[C@@H](COC(C)CC(C)C)OC)[C@H](COC(C)CC(C)C)OC
InChIInChI=1S/C22H46O6/c1-15(2)11-17(5)27-13-19(23-7)21(25-9)22(26-10)20(24-8)14-28-18(6)12-16(3)4/h15-22H,11-14H2,1-10H3/t17?,18?,19-,20+,21-,22-/m1/s1
InChIKeyRHELAWXSJGJNMQ-LMTUPJBHSA-N
MW406.60 g/mol
LogP3.95
Rot. Bonds17

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

(2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane (PubChem CID 22882760) has the molecular formula C22H46O6 and a molecular weight of 406.60 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane
PubChem CID22882760
Molecular FormulaC22H46O6
Molecular Weight406.60 g/mol
Exact Mass406.33
IUPAC Name(2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane
SMILESCO[C@@H]([C@H](OC)[C@@H](COC(C)CC(C)C)OC)[C@H](COC(C)CC(C)C)OC
InChIInChI=1S/C22H46O6/c1-15(2)11-17(5)27-13-19(23-7)21(25-9)22(26-10)20(24-8)14-28-18(6)12-16(3)4/h15-22H,11-14H2,1-10H3/t17?,18?,19-,20+,21-,22-/m1/s1
InChIKeyRHELAWXSJGJNMQ-LMTUPJBHSA-N
XLogP3.95
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 53.95
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)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane?
The IUPAC name of (2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane (CID 22882760) is (2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane.
What is the SMILES notation for (2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane?
The canonical SMILES for (2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane is CO[C@@H]([C@H](OC)[C@@H](COC(C)CC(C)C)OC)[C@H](COC(C)CC(C)C)OC.
What is the InChIKey of (2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane?
The InChIKey is RHELAWXSJGJNMQ-LMTUPJBHSA-N. The full InChI is InChI=1S/C22H46O6/c1-15(2)11-17(5)27-13-19(23-7)21(25-9)22(26-10)20(24-8)14-28-18(6)12-16(3)4/h15-22H,11-14H2,1-10H3/t17?,18?,19-,20+,21-,22-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane?
(2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane has a molecular weight of 406.60 g/mol, XLogP of 3.95, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2,3,4,5-tetramethoxy-1,6-bis(4-methylpentan-2-yloxy)hexane is sourced from PubChem (CID 22882760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).