2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol

C19H36O9 — CID 20603770

IUPAC2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol
SMILESCOCC1OC(C)C(C)C(O)C1OC1OC(COC)C(OC)C(OC)C1OC
InChIInChI=1S/C19H36O9/c1-10-11(2)26-12(8-21-3)15(14(10)20)28-19-18(25-7)17(24-6)16(23-5)13(27-19)9-22-4/h10-20H,8-9H2,1-7H3
InChIKeyKHPAZTUODJBGOD-UHFFFAOYSA-N
MW408.49 g/mol
LogP0.22
Rot. Bonds9

About 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol

2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol (PubChem CID 20603770) has the molecular formula C19H36O9 and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol.

Molecular Properties

Compound Name2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol
PubChem CID20603770
Molecular FormulaC19H36O9
Molecular Weight408.49 g/mol
Exact Mass408.24
IUPAC Name2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol
SMILESCOCC1OC(C)C(C)C(O)C1OC1OC(COC)C(OC)C(OC)C1OC
InChIInChI=1S/C19H36O9/c1-10-11(2)26-12(8-21-3)15(14(10)20)28-19-18(25-7)17(24-6)16(23-5)13(27-19)9-22-4/h10-20H,8-9H2,1-7H3
InChIKeyKHPAZTUODJBGOD-UHFFFAOYSA-N
XLogP0.22
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol with MolForge

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Related Compounds

dodecyl beta-D-maltoside
CID 114880
2-Ethylhexyl alpha-D-glucopyranoside
CID 24848590
Cyclohexyl-Hexyl-Beta-D-Maltoside
CID 447688
Dodecyl-Alpha-D-Maltoside
CID 445456
alpha-D-Allopyranoside, 6-deoxy-4-O-octyl-alpha-D-glucopyranosyl 6-deoxy-4-O-octyl-
CID 5273359
Nonyl 4-O-Alpha-D-Glucopyranosyl-Beta-D-Glucopyranoside
CID 11712472
(-)-menthyl beta-D-glucoside
CID 5459767
Aquacoat
CID 24832091
(2R,3R,4S,5S,6R)-2-[(2S)-heptan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 118711819
Cellulose, 2-hydroxyethyl 2-hydroxypropyl ether
CID 73555826
Isopentyl gentiobioside
CID 131753153
Undecyl-Beta-D-Maltopyranoside
CID 447793

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol?
The IUPAC name of 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol (CID 20603770) is 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol.
What is the SMILES notation for 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol?
The canonical SMILES for 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol is COCC1OC(C)C(C)C(O)C1OC1OC(COC)C(OC)C(OC)C1OC.
What is the InChIKey of 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol?
The InChIKey is KHPAZTUODJBGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O9/c1-10-11(2)26-12(8-21-3)15(14(10)20)28-19-18(25-7)17(24-6)16(23-5)13(27-19)9-22-4/h10-20H,8-9H2,1-7H3.
What are the key properties of 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol?
2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol has a molecular weight of 408.49 g/mol, XLogP of 0.22, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5,6-dimethyl-3-[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-4-ol is sourced from PubChem (CID 20603770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).