2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane

C20H38O11 — CID 525129

IUPAC2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane
SMILESCOCC1OC(OCC2OC(OC)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC
InChIInChI=1S/C20H38O11/c1-21-9-11-13(22-2)16(25-5)18(27-7)20(31-11)29-10-12-14(23-3)15(24-4)17(26-6)19(28-8)30-12/h11-20H,9-10H2,1-8H3
InChIKeyUXOPDHZWKBJQBG-UHFFFAOYSA-N
MW454.51 g/mol
LogP-0.16
Rot. Bonds12

About 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane

2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane (PubChem CID 525129) has the molecular formula C20H38O11 and a molecular weight of 454.51 g/mol. Its IUPAC name is 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane.

Molecular Properties

Compound Name2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane
PubChem CID525129
Molecular FormulaC20H38O11
Molecular Weight454.51 g/mol
Exact Mass454.24
IUPAC Name2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane
SMILESCOCC1OC(OCC2OC(OC)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC
InChIInChI=1S/C20H38O11/c1-21-9-11-13(22-2)16(25-5)18(27-7)20(31-11)29-10-12-14(23-3)15(24-4)17(26-6)19(28-8)30-12/h11-20H,9-10H2,1-8H3
InChIKeyUXOPDHZWKBJQBG-UHFFFAOYSA-N
XLogP-0.16
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane?
The IUPAC name of 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane (CID 525129) is 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane.
What is the SMILES notation for 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane?
The canonical SMILES for 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane is COCC1OC(OCC2OC(OC)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC.
What is the InChIKey of 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane?
The InChIKey is UXOPDHZWKBJQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O11/c1-21-9-11-13(22-2)16(25-5)18(27-7)20(31-11)29-10-12-14(23-3)15(24-4)17(26-6)19(28-8)30-12/h11-20H,9-10H2,1-8H3.
What are the key properties of 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane?
2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane has a molecular weight of 454.51 g/mol, XLogP of -0.16, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethoxy-6-[[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxane is sourced from PubChem (CID 525129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).