(4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one

C10H18O6 — CID 53362331

IUPAC(4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one
SMILESCOCO[C@@H]1[C@@H](C)OC(=O)C[C@H]1OCOC
InChIInChI=1S/C10H18O6/c1-7-10(15-6-13-3)8(14-5-12-2)4-9(11)16-7/h7-8,10H,4-6H2,1-3H3/t7-,8-,10-/m1/s1
InChIKeyXHZBUIGNIYGIIX-NQMVMOMDSA-N
MW234.25 g/mol
LogP0.30
Rot. Bonds6

About (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one

(4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one (PubChem CID 53362331) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one
PubChem CID53362331
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name(4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one
SMILESCOCO[C@@H]1[C@@H](C)OC(=O)C[C@H]1OCOC
InChIInChI=1S/C10H18O6/c1-7-10(15-6-13-3)8(14-5-12-2)4-9(11)16-7/h7-8,10H,4-6H2,1-3H3/t7-,8-,10-/m1/s1
InChIKeyXHZBUIGNIYGIIX-NQMVMOMDSA-N
XLogP0.30
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one?
The IUPAC name of (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one (CID 53362331) is (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one.
What is the SMILES notation for (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one?
The canonical SMILES for (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one is COCO[C@@H]1[C@@H](C)OC(=O)C[C@H]1OCOC.
What is the InChIKey of (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one?
The InChIKey is XHZBUIGNIYGIIX-NQMVMOMDSA-N. The full InChI is InChI=1S/C10H18O6/c1-7-10(15-6-13-3)8(14-5-12-2)4-9(11)16-7/h7-8,10H,4-6H2,1-3H3/t7-,8-,10-/m1/s1.
What are the key properties of (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one?
(4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one has a molecular weight of 234.25 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4,5-bis(methoxymethoxy)-6-methyloxan-2-one is sourced from PubChem (CID 53362331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).