(5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one

C14H22O3 — CID 86277954

IUPAC(5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one
SMILESCC[C@@]1([C@@H](CC(C)=O)CC(C)C)C=CC(=O)O1
InChIInChI=1S/C14H22O3/c1-5-14(7-6-13(16)17-14)12(8-10(2)3)9-11(4)15/h6-7,10,12H,5,8-9H2,1-4H3/t12-,14+/m1/s1
InChIKeyKXNSJKKPZCGCSU-OCCSQVGLSA-N
MW238.33 g/mol
LogP2.89
Rot. Bonds6

About (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one

(5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one (PubChem CID 86277954) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one.

Molecular Properties

Compound Name(5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one
PubChem CID86277954
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one
SMILESCC[C@@]1([C@@H](CC(C)=O)CC(C)C)C=CC(=O)O1
InChIInChI=1S/C14H22O3/c1-5-14(7-6-13(16)17-14)12(8-10(2)3)9-11(4)15/h6-7,10,12H,5,8-9H2,1-4H3/t12-,14+/m1/s1
InChIKeyKXNSJKKPZCGCSU-OCCSQVGLSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one with MolForge

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Launch Full Analysis

Related Compounds

plakilactone C
CID 71451878
(5R)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 11586873
(2Z,4R,10Z,13R)-4-pentyl-5-oxabicyclo[11.3.0]hexadeca-2,10,15-triene-6,14-dione
CID 44267941
(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one
CID 71453698
(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 162856502
(5R)-5-methyl-5-[(E,3S)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one
CID 162907181
(5R)-5-methyl-5-[(E,3R)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one
CID 162907183
PGA2 1,15-lactone
CID 42607300
(7S)-10-oxo-4-methyl-7-isopropyl-(5E)-undecen-4-olide
CID 6443562
4-Methyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
CID 12166820
3-Methyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
CID 12166821
(R)-5-methyl-5-((R)-2-oxoheptan-4-yl)furan-2(5H)-one
CID 86277938

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one?
The IUPAC name of (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one (CID 86277954) is (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one.
What is the SMILES notation for (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one?
The canonical SMILES for (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one is CC[C@@]1([C@@H](CC(C)=O)CC(C)C)C=CC(=O)O1.
What is the InChIKey of (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one?
The InChIKey is KXNSJKKPZCGCSU-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-14(7-6-13(16)17-14)12(8-10(2)3)9-11(4)15/h6-7,10,12H,5,8-9H2,1-4H3/t12-,14+/m1/s1.
What are the key properties of (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one?
(5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one has a molecular weight of 238.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-[(4R)-2-methyl-6-oxoheptan-4-yl]furan-2-one is sourced from PubChem (CID 86277954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).