(3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane

C₅₀H₉₀O₁₁ — CID 134973462

About (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane

(3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane (PubChem CID 134973462) has the molecular formula C₅₀H₉₀O₁₁ and a molecular weight of 867.26 g/mol. Its IUPAC name is (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane.

Molecular Properties

• Compound Name: (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane
• PubChem CID: 134973462
• Molecular Formula: C₅₀H₉₀O₁₁
• Molecular Weight: 867.26 g/mol
• Exact Mass: 866.65
• IUPAC Name: (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane
• SMILES: CC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](OC2C(C)[C@@H](OC3C(C)[C@H](OC4C(C)[C@H](OC5C(C)[C@H](C)OC(C)[C@H]5C)OC(C)[C@H]4C)OC(C)[C@H]3C)OC(C)[C@H]2C)OC(C)[C@H]1C
• InChI: InChI=1S/C50H90O11/c1-21-22(2)34(14)52-46(23(21)3)58-42-26(6)37(17)54-48(30(42)10)60-44-28(8)39(19)56-50(32(44)12)61-45-29(9)40(20)55-49(33(45)13)59-43-27(7)38(18)53-47(31(43)11)57-41-24(4)35(15)51-36(16)25(41)5/h21-50H,1-20H3/t21?,22-,23?,24+,25?,26+,27+,28+,29+,30?,31?,32?,33?,34?,35?,36-,37?,38?,39?,40?,41?,42?,43?,44?,45?,46-,47-,48-,49-,50+/m0/s1
• InChIKey: AHLJHMICWLZGAK-UKAOOFROSA-N
• XLogP: 9.71
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	867.26
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane?

The IUPAC name of (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane (CID 134973462) is (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane.

What is the SMILES notation for (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane?

The canonical SMILES for (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane is CC1C(C)[C@H](C)C(C)O[C@H]1OC1C(C)[C@H](OC2C(C)[C@@H](OC3C(C)[C@H](OC4C(C)[C@H](OC5C(C)[C@H](C)OC(C)[C@H]5C)OC(C)[C@H]4C)OC(C)[C@H]3C)OC(C)[C@H]2C)OC(C)[C@H]1C.

What is the InChIKey of (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane?

The InChIKey is AHLJHMICWLZGAK-UKAOOFROSA-N. The full InChI is InChI=1S/C50H90O11/c1-21-22(2)34(14)52-46(23(21)3)58-42-26(6)37(17)54-48(30(42)10)60-44-28(8)39(19)56-50(32(44)12)61-45-29(9)40(20)55-49(33(45)13)59-43-27(7)38(18)53-47(31(43)11)57-41-24(4)35(15)51-36(16)25(41)5/h21-50H,1-20H3/t21?,22-,23?,24+,25?,26+,27+,28+,29+,30?,31?,32?,33?,34?,35?,36-,37?,38?,39?,40?,41?,42?,43?,44?,45?,46-,47-,48-,49-,50+/m0/s1.

What are the key properties of (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane?

(3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane has a molecular weight of 867.26 g/mol, XLogP of 9.71, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6S)-2,3,4,5-tetramethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6R)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5-trimethyl-6-[(3R,6S)-2,3,5,6-tetramethyloxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxyoxane is sourced from PubChem (CID 134973462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134973462 — identifiers, structure, computed properties (public domain)

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