decylbenzene

C16H26 — CID 7716

IUPACdecylbenzene
SMILESCCCCCCCCCCc1ccccc1
InChIInChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3
InChIKeyUZILCZKGXMQEQR-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.37
Rot. Bonds9

About decylbenzene

decylbenzene (PubChem CID 7716) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is decylbenzene.

Molecular Properties

Compound Namedecylbenzene
PubChem CID7716
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Namedecylbenzene
SMILESCCCCCCCCCCc1ccccc1
InChIInChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3
InChIKeyUZILCZKGXMQEQR-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze decylbenzene 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 decylbenzene?
The IUPAC name of decylbenzene (CID 7716) is decylbenzene.
What is the SMILES notation for decylbenzene?
The canonical SMILES for decylbenzene is CCCCCCCCCCc1ccccc1.
What is the InChIKey of decylbenzene?
The InChIKey is UZILCZKGXMQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3.
What are the key properties of decylbenzene?
decylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decylbenzene is sourced from PubChem (CID 7716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).