(5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one

C14H22O3 — CID 86277980

IUPAC(5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one
SMILESCCC[C@@H](CC(C)=O)[C@]1(CCC)C=CC(=O)O1
InChIInChI=1S/C14H22O3/c1-4-6-12(10-11(3)15)14(8-5-2)9-7-13(16)17-14/h7,9,12H,4-6,8,10H2,1-3H3/t12-,14-/m0/s1
InChIKeyLMAYIHSCZMUBPT-JSGCOSHPSA-N
MW238.33 g/mol
LogP3.03
Rot. Bonds7

About (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one

(5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one (PubChem CID 86277980) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one.

Molecular Properties

Compound Name(5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one
PubChem CID86277980
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one
SMILESCCC[C@@H](CC(C)=O)[C@]1(CCC)C=CC(=O)O1
InChIInChI=1S/C14H22O3/c1-4-6-12(10-11(3)15)14(8-5-2)9-7-13(16)17-14/h7,9,12H,4-6,8,10H2,1-3H3/t12-,14-/m0/s1
InChIKeyLMAYIHSCZMUBPT-JSGCOSHPSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one?
The IUPAC name of (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one (CID 86277980) is (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one.
What is the SMILES notation for (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one?
The canonical SMILES for (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one is CCC[C@@H](CC(C)=O)[C@]1(CCC)C=CC(=O)O1.
What is the InChIKey of (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one?
The InChIKey is LMAYIHSCZMUBPT-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-6-12(10-11(3)15)14(8-5-2)9-7-13(16)17-14/h7,9,12H,4-6,8,10H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one?
(5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one has a molecular weight of 238.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4S)-2-oxoheptan-4-yl]-5-propylfuran-2-one is sourced from PubChem (CID 86277980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).