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

C16H28O2 — CID 71462572

IUPAC(5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one
SMILESCCCC[C@H](CC)C[C@]1(CC)C=C(CC)C(=O)O1
InChIInChI=1S/C16H28O2/c1-5-9-10-13(6-2)11-16(8-4)12-14(7-3)15(17)18-16/h12-13H,5-11H2,1-4H3/t13-,16+/m0/s1
InChIKeyZFTZUZIIFJHHDJ-XJKSGUPXSA-N
MW252.40 g/mol
LogP4.63
Rot. Bonds8

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

(5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one (PubChem CID 71462572) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one.

Molecular Properties

Compound Name(5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one
PubChem CID71462572
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one
SMILESCCCC[C@H](CC)C[C@]1(CC)C=C(CC)C(=O)O1
InChIInChI=1S/C16H28O2/c1-5-9-10-13(6-2)11-16(8-4)12-14(7-3)15(17)18-16/h12-13H,5-11H2,1-4H3/t13-,16+/m0/s1
InChIKeyZFTZUZIIFJHHDJ-XJKSGUPXSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one?
The IUPAC name of (5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one (CID 71462572) is (5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one.
What is the SMILES notation for (5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one?
The canonical SMILES for (5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one is CCCC[C@H](CC)C[C@]1(CC)C=C(CC)C(=O)O1.
What is the InChIKey of (5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one?
The InChIKey is ZFTZUZIIFJHHDJ-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H28O2/c1-5-9-10-13(6-2)11-16(8-4)12-14(7-3)15(17)18-16/h12-13H,5-11H2,1-4H3/t13-,16+/m0/s1.
What are the key properties of (5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one?
(5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one has a molecular weight of 252.40 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one is sourced from PubChem (CID 71462572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).