6-pentylcyclodeca-2,4,7,9-tetraen-1-one

C15H20O — CID 91465318

IUPAC6-pentylcyclodeca-2,4,7,9-tetraen-1-one
SMILESCCCCCC1C=CC=CC(=O)C=CC=C1
InChIInChI=1S/C15H20O/c1-2-3-4-9-14-10-5-7-12-15(16)13-8-6-11-14/h5-8,10-14H,2-4,9H2,1H3
InChIKeyIBULCGVCKMOXEX-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.99
Rot. Bonds4

About 6-pentylcyclodeca-2,4,7,9-tetraen-1-one

6-pentylcyclodeca-2,4,7,9-tetraen-1-one (PubChem CID 91465318) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 6-pentylcyclodeca-2,4,7,9-tetraen-1-one.

Molecular Properties

Compound Name6-pentylcyclodeca-2,4,7,9-tetraen-1-one
PubChem CID91465318
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name6-pentylcyclodeca-2,4,7,9-tetraen-1-one
SMILESCCCCCC1C=CC=CC(=O)C=CC=C1
InChIInChI=1S/C15H20O/c1-2-3-4-9-14-10-5-7-12-15(16)13-8-6-11-14/h5-8,10-14H,2-4,9H2,1H3
InChIKeyIBULCGVCKMOXEX-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-pentylcyclodeca-2,4,7,9-tetraen-1-one 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 6-pentylcyclodeca-2,4,7,9-tetraen-1-one?
The IUPAC name of 6-pentylcyclodeca-2,4,7,9-tetraen-1-one (CID 91465318) is 6-pentylcyclodeca-2,4,7,9-tetraen-1-one.
What is the SMILES notation for 6-pentylcyclodeca-2,4,7,9-tetraen-1-one?
The canonical SMILES for 6-pentylcyclodeca-2,4,7,9-tetraen-1-one is CCCCCC1C=CC=CC(=O)C=CC=C1.
What is the InChIKey of 6-pentylcyclodeca-2,4,7,9-tetraen-1-one?
The InChIKey is IBULCGVCKMOXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-3-4-9-14-10-5-7-12-15(16)13-8-6-11-14/h5-8,10-14H,2-4,9H2,1H3.
What are the key properties of 6-pentylcyclodeca-2,4,7,9-tetraen-1-one?
6-pentylcyclodeca-2,4,7,9-tetraen-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentylcyclodeca-2,4,7,9-tetraen-1-one is sourced from PubChem (CID 91465318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).