10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid

C16H24O7 — CID 19885970

IUPAC10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid
SMILESCC(=O)OC(CCCCCCCCC(=O)O)C1=CC(=O)OC1O
InChIInChI=1S/C16H24O7/c1-11(17)22-13(12-10-15(20)23-16(12)21)8-6-4-2-3-5-7-9-14(18)19/h10,13,16,21H,2-9H2,1H3,(H,18,19)
InChIKeyPYUYQHBOWYZECW-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.93
Rot. Bonds11

About 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid

10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid (PubChem CID 19885970) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid.

Molecular Properties

Compound Name10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid
PubChem CID19885970
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid
SMILESCC(=O)OC(CCCCCCCCC(=O)O)C1=CC(=O)OC1O
InChIInChI=1S/C16H24O7/c1-11(17)22-13(12-10-15(20)23-16(12)21)8-6-4-2-3-5-7-9-14(18)19/h10,13,16,21H,2-9H2,1H3,(H,18,19)
InChIKeyPYUYQHBOWYZECW-UHFFFAOYSA-N
XLogP1.93
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid?
The IUPAC name of 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid (CID 19885970) is 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid.
What is the SMILES notation for 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid?
The canonical SMILES for 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid is CC(=O)OC(CCCCCCCCC(=O)O)C1=CC(=O)OC1O.
What is the InChIKey of 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid?
The InChIKey is PYUYQHBOWYZECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O7/c1-11(17)22-13(12-10-15(20)23-16(12)21)8-6-4-2-3-5-7-9-14(18)19/h10,13,16,21H,2-9H2,1H3,(H,18,19).
What are the key properties of 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid?
10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid has a molecular weight of 328.36 g/mol, XLogP of 1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyloxy-10-(2-hydroxy-5-oxo-2H-furan-3-yl)decanoic acid is sourced from PubChem (CID 19885970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).