(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one

C16H26O3 — CID 71453698

IUPAC(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one
SMILESCCC1=C[C@@](CC)(C[C@@H](CC)CCC(C)=O)OC1=O
InChIInChI=1S/C16H26O3/c1-5-13(9-8-12(4)17)10-16(7-3)11-14(6-2)15(18)19-16/h11,13H,5-10H2,1-4H3/t13-,16+/m0/s1
InChIKeyUVNLRSLXWNPGTF-XJKSGUPXSA-N
MW266.38 g/mol
LogP3.81
Rot. Bonds8

About (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one

(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one (PubChem CID 71453698) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one.

Molecular Properties

Compound Name(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one
PubChem CID71453698
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one
SMILESCCC1=C[C@@](CC)(C[C@@H](CC)CCC(C)=O)OC1=O
InChIInChI=1S/C16H26O3/c1-5-13(9-8-12(4)17)10-16(7-3)11-14(6-2)15(18)19-16/h11,13H,5-10H2,1-4H3/t13-,16+/m0/s1
InChIKeyUVNLRSLXWNPGTF-XJKSGUPXSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one?
The IUPAC name of (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one (CID 71453698) is (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one.
What is the SMILES notation for (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one?
The canonical SMILES for (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one is CCC1=C[C@@](CC)(C[C@@H](CC)CCC(C)=O)OC1=O.
What is the InChIKey of (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one?
The InChIKey is UVNLRSLXWNPGTF-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-13(9-8-12(4)17)10-16(7-3)11-14(6-2)15(18)19-16/h11,13H,5-10H2,1-4H3/t13-,16+/m0/s1.
What are the key properties of (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one?
(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one has a molecular weight of 266.38 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one is sourced from PubChem (CID 71453698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).