(1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane

C18H26O9 — CID 98511375

IUPAC(1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane
SMILESC[C@H]1OC[C@H]2C[C@]3(O1)O[C@@H]3[C@@H](COC[C@@H]1O[C@@H]3CO[C@H](C)O[C@@]4(C3)O[C@@H]14)O2
InChIInChI=1S/C18H26O9/c1-9-20-5-11-3-17(24-9)15(26-17)13(22-11)7-19-8-14-16-18(27-16)4-12(23-14)6-21-10(2)25-18/h9-16H,3-8H2,1-2H3/t9-,10-,11-,12+,13-,14+,15-,16+,17-,18-/m0/s1
InChIKeyNUCSHLRWJDVAOL-LYQITLDUSA-N
MW386.40 g/mol
LogP0.29
Rot. Bonds4

About (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane

(1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane (PubChem CID 98511375) has the molecular formula C18H26O9 and a molecular weight of 386.40 g/mol. Its IUPAC name is (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane.

Molecular Properties

Compound Name(1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane
PubChem CID98511375
Molecular FormulaC18H26O9
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name(1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane
SMILESC[C@H]1OC[C@H]2C[C@]3(O1)O[C@@H]3[C@@H](COC[C@@H]1O[C@@H]3CO[C@H](C)O[C@@]4(C3)O[C@@H]14)O2
InChIInChI=1S/C18H26O9/c1-9-20-5-11-3-17(24-9)15(26-17)13(22-11)7-19-8-14-16-18(27-16)4-12(23-14)6-21-10(2)25-18/h9-16H,3-8H2,1-2H3/t9-,10-,11-,12+,13-,14+,15-,16+,17-,18-/m0/s1
InChIKeyNUCSHLRWJDVAOL-LYQITLDUSA-N
XLogP0.29
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane with MolForge

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Related Compounds

(1R,3S,4S,6R,9R)-9-methyl-4-[[(1R,3R,4R,6R,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane
CID 98511376
2-(1-bicyclo[2.2.1]heptanyl)-3-[[3-(1-bicyclo[2.2.1]heptanyl)oxiran-2-yl]methoxymethyl]oxirane
CID 139886327
4-fluoro-2-methyl-1,3-dioxolane
CID 137456725
CID 20583938
CID 20583938
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
CID 59971478
CID 59971478
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane
CID 160640331
(2-methyl-1,3-dioxolan-4-yl) formate
CID 175326174
4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol
CID 14134374
2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane
CID 171415370
3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane
CID 174878510

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane?
The IUPAC name of (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane (CID 98511375) is (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane.
What is the SMILES notation for (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane?
The canonical SMILES for (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane is C[C@H]1OC[C@H]2C[C@]3(O1)O[C@@H]3[C@@H](COC[C@@H]1O[C@@H]3CO[C@H](C)O[C@@]4(C3)O[C@@H]14)O2.
What is the InChIKey of (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane?
The InChIKey is NUCSHLRWJDVAOL-LYQITLDUSA-N. The full InChI is InChI=1S/C18H26O9/c1-9-20-5-11-3-17(24-9)15(26-17)13(22-11)7-19-8-14-16-18(27-16)4-12(23-14)6-21-10(2)25-18/h9-16H,3-8H2,1-2H3/t9-,10-,11-,12+,13-,14+,15-,16+,17-,18-/m0/s1.
What are the key properties of (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane?
(1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane has a molecular weight of 386.40 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,6R,9S)-9-methyl-4-[[(1R,3S,4S,6S,9S)-9-methyl-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecan-4-yl]methoxymethyl]-2,5,8,10-tetraoxatricyclo[4.4.1.01,3]undecane is sourced from PubChem (CID 98511375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).