(6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane

C12H24O6 — CID 78225729

IUPAC(6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane
SMILESCOCCO[C@@H]1COCCOC[C@H]1OCCOC
InChIInChI=1S/C12H24O6/c1-13-3-7-17-11-9-15-5-6-16-10-12(11)18-8-4-14-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyTWCCITYCGPHWQR-VXGBXAGGSA-N
MW264.32 g/mol
LogP0.10
Rot. Bonds8

About (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane

(6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane (PubChem CID 78225729) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane.

Molecular Properties

Compound Name(6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane
PubChem CID78225729
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name(6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane
SMILESCOCCO[C@@H]1COCCOC[C@H]1OCCOC
InChIInChI=1S/C12H24O6/c1-13-3-7-17-11-9-15-5-6-16-10-12(11)18-8-4-14-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyTWCCITYCGPHWQR-VXGBXAGGSA-N
XLogP0.10
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane?
The IUPAC name of (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane (CID 78225729) is (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane.
What is the SMILES notation for (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane?
The canonical SMILES for (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane is COCCO[C@@H]1COCCOC[C@H]1OCCOC.
What is the InChIKey of (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane?
The InChIKey is TWCCITYCGPHWQR-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24O6/c1-13-3-7-17-11-9-15-5-6-16-10-12(11)18-8-4-14-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane?
(6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane has a molecular weight of 264.32 g/mol, XLogP of 0.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6,7-bis(2-methoxyethoxy)-1,4-dioxocane is sourced from PubChem (CID 78225729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).