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

C34H62O8 — CID 20577430

IUPAC2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane
SMILESCOC1OC(C)C(C)C(OC2OC(C)C(OC3OC(C)C(OC4OC(C)C(C)C(C)C4C)C(C)C3C)C(C)C2C)C1C
InChIInChI=1S/C34H62O8/c1-15-16(2)24(10)37-32(19(15)5)41-29-18(4)21(7)34(39-27(29)13)42-30-17(3)20(6)33(38-26(30)12)40-28-22(8)25(11)36-31(35-14)23(28)9/h15-34H,1-14H3
InChIKeyJJAKLISJQRXCHN-UHFFFAOYSA-N
MW598.86 g/mol
LogP6.49
Rot. Bonds7

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

2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane (PubChem CID 20577430) has the molecular formula C34H62O8 and a molecular weight of 598.86 g/mol. Its IUPAC name is 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane
PubChem CID20577430
Molecular FormulaC34H62O8
Molecular Weight598.86 g/mol
Exact Mass598.44
IUPAC Name2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane
SMILESCOC1OC(C)C(C)C(OC2OC(C)C(OC3OC(C)C(OC4OC(C)C(C)C(C)C4C)C(C)C3C)C(C)C2C)C1C
InChIInChI=1S/C34H62O8/c1-15-16(2)24(10)37-32(19(15)5)41-29-18(4)21(7)34(39-27(29)13)42-30-17(3)20(6)33(38-26(30)12)40-28-22(8)25(11)36-31(35-14)23(28)9/h15-34H,1-14H3
InChIKeyJJAKLISJQRXCHN-UHFFFAOYSA-N
XLogP6.49
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.86
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane with MolForge

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Launch Full Analysis

Related Compounds

2,3,6-tri-O-methyl-beta-cyclodextrin
CID 162771
(3S,8S,13S,18S,23S,28S,33S,36R,37S,38S,39S,40S,41S,42S,43S,44S,45S,46S,47S,48S,49S)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
CID 44289388
Hexakis (2,3,6-tri-O-methyl)-|A-cyclodextrin
CID 10307464
TMe-gamma-cyclodextrin
CID 10307808
Trimethyl-EC-cyclodextrin
CID 4418429
Octakis(2,3,6-tri-O-Methyl)-gamma-cyclodextrin
CID 6518169
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
CID 13003169
Hexakis(2,3,6-tri-O-methyl)-alpha-cyclodextrin
CID 13832821
(1S,3S,5R,6S,8S,10R,11S,13S,15R,16S,18S,20R,21S,23S,25R,26S,28S,30R,31S,33S,35R,36S,38S,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecamethoxy-5,10,15,20,25,30,35,40-octakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane
CID 129830324
Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin
CID 183342
(4S,5R,6R)-2,2,5-trimethyl-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4R,5R,6S)-2,2,5-trimethyl-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxan-4-yl]-1,3-dioxane
CID 10885760
(3R,6S)-2-(hydroxymethyl)-6-[(3S,6S)-5-[(2S,4S,5S)-3-hydroxy-4,5,6-trimethyloxan-2-yl]oxy-2-methoxy-6-methyl-3-[(3R,4R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 134864064

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane?
The IUPAC name of 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane (CID 20577430) is 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane.
What is the SMILES notation for 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane?
The canonical SMILES for 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane is COC1OC(C)C(C)C(OC2OC(C)C(OC3OC(C)C(OC4OC(C)C(C)C(C)C4C)C(C)C3C)C(C)C2C)C1C.
What is the InChIKey of 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane?
The InChIKey is JJAKLISJQRXCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62O8/c1-15-16(2)24(10)37-32(19(15)5)41-29-18(4)21(7)34(39-27(29)13)42-30-17(3)20(6)33(38-26(30)12)40-28-22(8)25(11)36-31(35-14)23(28)9/h15-34H,1-14H3.
What are the key properties of 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane?
2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane has a molecular weight of 598.86 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxyoxane is sourced from PubChem (CID 20577430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).