(2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one

C14H24O6 — CID 11098187

IUPAC(2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
SMILESCOCO[C@@H]1/C=C/[C@H](OCOC)CC(=O)O[C@H](C)CC1
InChIInChI=1S/C14H24O6/c1-11-4-5-12(18-9-16-2)6-7-13(19-10-17-3)8-14(15)20-11/h6-7,11-13H,4-5,8-10H2,1-3H3/b7-6+/t11-,12+,13+/m1/s1
InChIKeyJUPDKBAVSPSDOH-LQVFNYONSA-N
MW288.34 g/mol
LogP1.64
Rot. Bonds6

About (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one

(2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one (PubChem CID 11098187) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one.

Molecular Properties

Compound Name(2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
PubChem CID11098187
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name(2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
SMILESCOCO[C@@H]1/C=C/[C@H](OCOC)CC(=O)O[C@H](C)CC1
InChIInChI=1S/C14H24O6/c1-11-4-5-12(18-9-16-2)6-7-13(19-10-17-3)8-14(15)20-11/h6-7,11-13H,4-5,8-10H2,1-3H3/b7-6+/t11-,12+,13+/m1/s1
InChIKeyJUPDKBAVSPSDOH-LQVFNYONSA-N
XLogP1.64
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
The IUPAC name of (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one (CID 11098187) is (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one.
What is the SMILES notation for (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
The canonical SMILES for (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one is COCO[C@@H]1/C=C/[C@H](OCOC)CC(=O)O[C@H](C)CC1.
What is the InChIKey of (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
The InChIKey is JUPDKBAVSPSDOH-LQVFNYONSA-N. The full InChI is InChI=1S/C14H24O6/c1-11-4-5-12(18-9-16-2)6-7-13(19-10-17-3)8-14(15)20-11/h6-7,11-13H,4-5,8-10H2,1-3H3/b7-6+/t11-,12+,13+/m1/s1.
What are the key properties of (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
(2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one has a molecular weight of 288.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one is sourced from PubChem (CID 11098187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).