(5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one

C8H14O5 — CID 11735637

IUPAC(5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one
SMILESCO[C@]1(C)OCC(=O)O[C@@]1(C)OC
InChIInChI=1S/C8H14O5/c1-7(10-3)8(2,11-4)13-6(9)5-12-7/h5H2,1-4H3/t7-,8-/m1/s1
InChIKeyJGTHYIWENNOLMX-HTQZYQBOSA-N
MW190.19 g/mol
LogP0.28
Rot. Bonds2

About (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one

(5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one (PubChem CID 11735637) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one.

Molecular Properties

Compound Name(5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one
PubChem CID11735637
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one
SMILESCO[C@]1(C)OCC(=O)O[C@@]1(C)OC
InChIInChI=1S/C8H14O5/c1-7(10-3)8(2,11-4)13-6(9)5-12-7/h5H2,1-4H3/t7-,8-/m1/s1
InChIKeyJGTHYIWENNOLMX-HTQZYQBOSA-N
XLogP0.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one?
The IUPAC name of (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one (CID 11735637) is (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one.
What is the SMILES notation for (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one?
The canonical SMILES for (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one is CO[C@]1(C)OCC(=O)O[C@@]1(C)OC.
What is the InChIKey of (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one?
The InChIKey is JGTHYIWENNOLMX-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O5/c1-7(10-3)8(2,11-4)13-6(9)5-12-7/h5H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one?
(5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one has a molecular weight of 190.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one is sourced from PubChem (CID 11735637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).