9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate

C15H24O5 — CID 67859947

IUPAC9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate
SMILESCC(=O)OCCCCCCCCCC1=CC(O)OC1=O
InChIInChI=1S/C15H24O5/c1-12(16)19-10-8-6-4-2-3-5-7-9-13-11-14(17)20-15(13)18/h11,14,17H,2-10H2,1H3
InChIKeyDTAFJJNRSQVWAH-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.47
Rot. Bonds10

About 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate

9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate (PubChem CID 67859947) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate.

Molecular Properties

Compound Name9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate
PubChem CID67859947
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate
SMILESCC(=O)OCCCCCCCCCC1=CC(O)OC1=O
InChIInChI=1S/C15H24O5/c1-12(16)19-10-8-6-4-2-3-5-7-9-13-11-14(17)20-15(13)18/h11,14,17H,2-10H2,1H3
InChIKeyDTAFJJNRSQVWAH-UHFFFAOYSA-N
XLogP2.47
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate?
The IUPAC name of 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate (CID 67859947) is 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate.
What is the SMILES notation for 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate?
The canonical SMILES for 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate is CC(=O)OCCCCCCCCCC1=CC(O)OC1=O.
What is the InChIKey of 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate?
The InChIKey is DTAFJJNRSQVWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-12(16)19-10-8-6-4-2-3-5-7-9-13-11-14(17)20-15(13)18/h11,14,17H,2-10H2,1H3.
What are the key properties of 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate?
9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate has a molecular weight of 284.35 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxy-5-oxo-2H-furan-4-yl)nonyl acetate is sourced from PubChem (CID 67859947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).