18-fluoro-20-methoxynonacosa-6,9-diene

C30H57FO — CID 123905826

IUPAC18-fluoro-20-methoxynonacosa-6,9-diene
SMILESCCCCCC=CCC=CCCCCCCCC(F)CC(CCCCCCCCC)OC
InChIInChI=1S/C30H57FO/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-22-24-26-29(31)28-30(32-3)27-25-23-20-11-9-7-5-2/h12-13,15-16,29-30H,4-11,14,17-28H2,1-3H3
InChIKeyMQJXHNTZSMPILO-UHFFFAOYSA-N
MW452.78 g/mol
LogP10.68
Rot. Bonds25

About 18-fluoro-20-methoxynonacosa-6,9-diene

18-fluoro-20-methoxynonacosa-6,9-diene (PubChem CID 123905826) has the molecular formula C30H57FO and a molecular weight of 452.78 g/mol. Its IUPAC name is 18-fluoro-20-methoxynonacosa-6,9-diene.

Molecular Properties

Compound Name18-fluoro-20-methoxynonacosa-6,9-diene
PubChem CID123905826
Molecular FormulaC30H57FO
Molecular Weight452.78 g/mol
Exact Mass452.44
IUPAC Name18-fluoro-20-methoxynonacosa-6,9-diene
SMILESCCCCCC=CCC=CCCCCCCCC(F)CC(CCCCCCCCC)OC
InChIInChI=1S/C30H57FO/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-22-24-26-29(31)28-30(32-3)27-25-23-20-11-9-7-5-2/h12-13,15-16,29-30H,4-11,14,17-28H2,1-3H3
InChIKeyMQJXHNTZSMPILO-UHFFFAOYSA-N
XLogP10.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.78
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 18-fluoro-20-methoxynonacosa-6,9-diene 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 18-fluoro-20-methoxynonacosa-6,9-diene?
The IUPAC name of 18-fluoro-20-methoxynonacosa-6,9-diene (CID 123905826) is 18-fluoro-20-methoxynonacosa-6,9-diene.
What is the SMILES notation for 18-fluoro-20-methoxynonacosa-6,9-diene?
The canonical SMILES for 18-fluoro-20-methoxynonacosa-6,9-diene is CCCCCC=CCC=CCCCCCCCC(F)CC(CCCCCCCCC)OC.
What is the InChIKey of 18-fluoro-20-methoxynonacosa-6,9-diene?
The InChIKey is MQJXHNTZSMPILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57FO/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-22-24-26-29(31)28-30(32-3)27-25-23-20-11-9-7-5-2/h12-13,15-16,29-30H,4-11,14,17-28H2,1-3H3.
What are the key properties of 18-fluoro-20-methoxynonacosa-6,9-diene?
18-fluoro-20-methoxynonacosa-6,9-diene has a molecular weight of 452.78 g/mol, XLogP of 10.68, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-fluoro-20-methoxynonacosa-6,9-diene is sourced from PubChem (CID 123905826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).