(2R,6S)-2,6-diethyloxan-4-one

C9H16O2 — CID 11309644

IUPAC(2R,6S)-2,6-diethyloxan-4-one
SMILESCC[C@@H]1CC(=O)C[C@H](CC)O1
InChIInChI=1S/C9H16O2/c1-3-8-5-7(10)6-9(4-2)11-8/h8-9H,3-6H2,1-2H3/t8-,9+
InChIKeyLFPMRCBPDAIVHN-DTORHVGOSA-N
MW156.23 g/mol
LogP1.92
Rot. Bonds2

About (2R,6S)-2,6-diethyloxan-4-one

(2R,6S)-2,6-diethyloxan-4-one (PubChem CID 11309644) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is (2R,6S)-2,6-diethyloxan-4-one.

Molecular Properties

Compound Name(2R,6S)-2,6-diethyloxan-4-one
PubChem CID11309644
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name(2R,6S)-2,6-diethyloxan-4-one
SMILESCC[C@@H]1CC(=O)C[C@H](CC)O1
InChIInChI=1S/C9H16O2/c1-3-8-5-7(10)6-9(4-2)11-8/h8-9H,3-6H2,1-2H3/t8-,9+
InChIKeyLFPMRCBPDAIVHN-DTORHVGOSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-diethyloxan-4-one?
The IUPAC name of (2R,6S)-2,6-diethyloxan-4-one (CID 11309644) is (2R,6S)-2,6-diethyloxan-4-one.
What is the SMILES notation for (2R,6S)-2,6-diethyloxan-4-one?
The canonical SMILES for (2R,6S)-2,6-diethyloxan-4-one is CC[C@@H]1CC(=O)C[C@H](CC)O1.
What is the InChIKey of (2R,6S)-2,6-diethyloxan-4-one?
The InChIKey is LFPMRCBPDAIVHN-DTORHVGOSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8-5-7(10)6-9(4-2)11-8/h8-9H,3-6H2,1-2H3/t8-,9+.
What are the key properties of (2R,6S)-2,6-diethyloxan-4-one?
(2R,6S)-2,6-diethyloxan-4-one has a molecular weight of 156.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-diethyloxan-4-one is sourced from PubChem (CID 11309644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).