1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone

C11H20O4 — CID 129044728

IUPAC1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone
SMILESCOC1C(C)OC(C)[C@H](OC)C1C(C)=O
InChIInChI=1S/C11H20O4/c1-6(12)9-10(13-4)7(2)15-8(3)11(9)14-5/h7-11H,1-5H3/t7?,8?,9?,10-,11?/m0/s1
InChIKeyQVVIYRWRBGAZDD-UIVJTFTRSA-N
MW216.28 g/mol
LogP1.03
Rot. Bonds3

About 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone

1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone (PubChem CID 129044728) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone
PubChem CID129044728
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone
SMILESCOC1C(C)OC(C)[C@H](OC)C1C(C)=O
InChIInChI=1S/C11H20O4/c1-6(12)9-10(13-4)7(2)15-8(3)11(9)14-5/h7-11H,1-5H3/t7?,8?,9?,10-,11?/m0/s1
InChIKeyQVVIYRWRBGAZDD-UIVJTFTRSA-N
XLogP1.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone?
The IUPAC name of 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone (CID 129044728) is 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone?
The canonical SMILES for 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone is COC1C(C)OC(C)[C@H](OC)C1C(C)=O.
What is the InChIKey of 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone?
The InChIKey is QVVIYRWRBGAZDD-UIVJTFTRSA-N. The full InChI is InChI=1S/C11H20O4/c1-6(12)9-10(13-4)7(2)15-8(3)11(9)14-5/h7-11H,1-5H3/t7?,8?,9?,10-,11?/m0/s1.
What are the key properties of 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone?
1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone has a molecular weight of 216.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3,5-dimethoxy-2,6-dimethyloxan-4-yl]ethanone is sourced from PubChem (CID 129044728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).