9-(3-methyl-5-propylfuran-2-yl)nonanoic acid

C17H28O3 — CID 86017621

IUPAC9-(3-methyl-5-propylfuran-2-yl)nonanoic acid
SMILESCCCc1cc(C)c(CCCCCCCCC(=O)O)o1
InChIInChI=1S/C17H28O3/c1-3-10-15-13-14(2)16(20-15)11-8-6-4-5-7-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)
InChIKeyKBPXPNAPONVMFL-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.90
Rot. Bonds11

About 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid

9-(3-methyl-5-propylfuran-2-yl)nonanoic acid (PubChem CID 86017621) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid.

Molecular Properties

Compound Name9-(3-methyl-5-propylfuran-2-yl)nonanoic acid
PubChem CID86017621
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name9-(3-methyl-5-propylfuran-2-yl)nonanoic acid
SMILESCCCc1cc(C)c(CCCCCCCCC(=O)O)o1
InChIInChI=1S/C17H28O3/c1-3-10-15-13-14(2)16(20-15)11-8-6-4-5-7-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)
InChIKeyKBPXPNAPONVMFL-UHFFFAOYSA-N
XLogP4.90
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(3-methyl-5-propylfuran-2-yl)nonanoic 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 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid?
The IUPAC name of 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid (CID 86017621) is 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid.
What is the SMILES notation for 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid?
The canonical SMILES for 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid is CCCc1cc(C)c(CCCCCCCCC(=O)O)o1.
What is the InChIKey of 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid?
The InChIKey is KBPXPNAPONVMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-10-15-13-14(2)16(20-15)11-8-6-4-5-7-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid?
9-(3-methyl-5-propylfuran-2-yl)nonanoic acid has a molecular weight of 280.41 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methyl-5-propylfuran-2-yl)nonanoic acid is sourced from PubChem (CID 86017621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).