(3E)-5-hexyl-3-pentylidenefuran-2-one

C15H24O2 — CID 10657475

IUPAC(3E)-5-hexyl-3-pentylidenefuran-2-one
SMILESCCCC/C=C1\C=C(CCCCCC)OC1=O
InChIInChI=1S/C15H24O2/c1-3-5-7-9-11-14-12-13(15(16)17-14)10-8-6-4-2/h10,12H,3-9,11H2,1-2H3/b13-10+
InChIKeyGGFDWXZCCCGNIQ-JLHYYAGUSA-N
MW236.35 g/mol
LogP4.51
Rot. Bonds8

About (3E)-5-hexyl-3-pentylidenefuran-2-one

(3E)-5-hexyl-3-pentylidenefuran-2-one (PubChem CID 10657475) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3E)-5-hexyl-3-pentylidenefuran-2-one.

Molecular Properties

Compound Name(3E)-5-hexyl-3-pentylidenefuran-2-one
PubChem CID10657475
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3E)-5-hexyl-3-pentylidenefuran-2-one
SMILESCCCC/C=C1\C=C(CCCCCC)OC1=O
InChIInChI=1S/C15H24O2/c1-3-5-7-9-11-14-12-13(15(16)17-14)10-8-6-4-2/h10,12H,3-9,11H2,1-2H3/b13-10+
InChIKeyGGFDWXZCCCGNIQ-JLHYYAGUSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ligustilide
CID 5319022
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
CID 5877292
4-methyl-6-[8-(4-methyl-2-oxo-2H-pyran-6-yl)octyl]-2H-pyran-2-one
CID 1810986
2H-Pyran-2-one, 4-methyl-6-pentyl-
CID 11401122
6-Heptyl-4-methylpyran-2-one
CID 21520139
4-Methoxy-6-nonylpyran-2-one
CID 44264720
3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one
CID 529865
6-Heptyl-2H-pyran-2-one
CID 12271150
(Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one
CID 91719442
6-Hexyl-4-methylpyran-2-one
CID 11183167
6-Heptyl-4-methoxypyran-2-one
CID 44264738
Nocapyrone I
CID 71604595

Frequently Asked Questions

What is the IUPAC name of (3E)-5-hexyl-3-pentylidenefuran-2-one?
The IUPAC name of (3E)-5-hexyl-3-pentylidenefuran-2-one (CID 10657475) is (3E)-5-hexyl-3-pentylidenefuran-2-one.
What is the SMILES notation for (3E)-5-hexyl-3-pentylidenefuran-2-one?
The canonical SMILES for (3E)-5-hexyl-3-pentylidenefuran-2-one is CCCC/C=C1\C=C(CCCCCC)OC1=O.
What is the InChIKey of (3E)-5-hexyl-3-pentylidenefuran-2-one?
The InChIKey is GGFDWXZCCCGNIQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-5-7-9-11-14-12-13(15(16)17-14)10-8-6-4-2/h10,12H,3-9,11H2,1-2H3/b13-10+.
What are the key properties of (3E)-5-hexyl-3-pentylidenefuran-2-one?
(3E)-5-hexyl-3-pentylidenefuran-2-one has a molecular weight of 236.35 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-hexyl-3-pentylidenefuran-2-one is sourced from PubChem (CID 10657475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).