(5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one

C18H30O2 — CID 44576264

IUPAC(5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one
SMILESCC/C=C/[C@H](CC)CCC[C@@]1(CC)C=C(CC)C(=O)O1
InChIInChI=1S/C18H30O2/c1-5-9-11-15(6-2)12-10-13-18(8-4)14-16(7-3)17(19)20-18/h9,11,14-15H,5-8,10,12-13H2,1-4H3/b11-9+/t15-,18-/m0/s1
InChIKeyZOVPLJJDPDLGND-BQCDODHWSA-N
MW278.44 g/mol
LogP5.19
Rot. Bonds9

About (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one

(5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one (PubChem CID 44576264) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one.

Molecular Properties

Compound Name(5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one
PubChem CID44576264
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one
SMILESCC/C=C/[C@H](CC)CCC[C@@]1(CC)C=C(CC)C(=O)O1
InChIInChI=1S/C18H30O2/c1-5-9-11-15(6-2)12-10-13-18(8-4)14-16(7-3)17(19)20-18/h9,11,14-15H,5-8,10,12-13H2,1-4H3/b11-9+/t15-,18-/m0/s1
InChIKeyZOVPLJJDPDLGND-BQCDODHWSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one?
The IUPAC name of (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one (CID 44576264) is (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one.
What is the SMILES notation for (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one?
The canonical SMILES for (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one is CC/C=C/[C@H](CC)CCC[C@@]1(CC)C=C(CC)C(=O)O1.
What is the InChIKey of (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one?
The InChIKey is ZOVPLJJDPDLGND-BQCDODHWSA-N. The full InChI is InChI=1S/C18H30O2/c1-5-9-11-15(6-2)12-10-13-18(8-4)14-16(7-3)17(19)20-18/h9,11,14-15H,5-8,10,12-13H2,1-4H3/b11-9+/t15-,18-/m0/s1.
What are the key properties of (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one?
(5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one has a molecular weight of 278.44 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-diethyl-5-[(E,4R)-4-ethyloct-5-enyl]furan-2-one is sourced from PubChem (CID 44576264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).