9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid

C15H24O5 — CID 146683526

IUPAC9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid
SMILESCC1=C(C)[C@@](O)(CCCCCCCCC(=O)O)OC1=O
InChIInChI=1S/C15H24O5/c1-11-12(2)15(19,20-14(11)18)10-8-6-4-3-5-7-9-13(16)17/h19H,3-10H2,1-2H3,(H,16,17)/t15-/m1/s1
InChIKeyXTNDNDHWETWEOJ-OAHLLOKOSA-N
MW284.35 g/mol
LogP2.77
Rot. Bonds9

About 9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid

9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid (PubChem CID 146683526) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid.

Molecular Properties

Compound Name9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid
PubChem CID146683526
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid
SMILESCC1=C(C)[C@@](O)(CCCCCCCCC(=O)O)OC1=O
InChIInChI=1S/C15H24O5/c1-11-12(2)15(19,20-14(11)18)10-8-6-4-3-5-7-9-13(16)17/h19H,3-10H2,1-2H3,(H,16,17)/t15-/m1/s1
InChIKeyXTNDNDHWETWEOJ-OAHLLOKOSA-N
XLogP2.77
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid?
The IUPAC name of 9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid (CID 146683526) is 9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid.
What is the SMILES notation for 9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid?
The canonical SMILES for 9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid is CC1=C(C)[C@@](O)(CCCCCCCCC(=O)O)OC1=O.
What is the InChIKey of 9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid?
The InChIKey is XTNDNDHWETWEOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24O5/c1-11-12(2)15(19,20-14(11)18)10-8-6-4-3-5-7-9-13(16)17/h19H,3-10H2,1-2H3,(H,16,17)/t15-/m1/s1.
What are the key properties of 9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid?
9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid has a molecular weight of 284.35 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl]nonanoic acid is sourced from PubChem (CID 146683526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).