9-hexyl-9H-fluorene

C19H22 — CID 6427879

IUPAC9-hexyl-9H-fluorene
SMILESCCCCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22/c1-2-3-4-5-10-15-16-11-6-8-13-18(16)19-14-9-7-12-17(15)19/h6-9,11-15H,2-5,10H2,1H3
InChIKeyLZHSIVAEFPMRNK-UHFFFAOYSA-N
MW250.39 g/mol
LogP5.77
Rot. Bonds5

About 9-hexyl-9H-fluorene

9-hexyl-9H-fluorene (PubChem CID 6427879) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is 9-hexyl-9H-fluorene.

Molecular Properties

Compound Name9-hexyl-9H-fluorene
PubChem CID6427879
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name9-hexyl-9H-fluorene
SMILESCCCCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22/c1-2-3-4-5-10-15-16-11-6-8-13-18(16)19-14-9-7-12-17(15)19/h6-9,11-15H,2-5,10H2,1H3
InChIKeyLZHSIVAEFPMRNK-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-hexyl-9H-fluorene?
The IUPAC name of 9-hexyl-9H-fluorene (CID 6427879) is 9-hexyl-9H-fluorene.
What is the SMILES notation for 9-hexyl-9H-fluorene?
The canonical SMILES for 9-hexyl-9H-fluorene is CCCCCCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-hexyl-9H-fluorene?
The InChIKey is LZHSIVAEFPMRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-2-3-4-5-10-15-16-11-6-8-13-18(16)19-14-9-7-12-17(15)19/h6-9,11-15H,2-5,10H2,1H3.
What are the key properties of 9-hexyl-9H-fluorene?
9-hexyl-9H-fluorene has a molecular weight of 250.39 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexyl-9H-fluorene is sourced from PubChem (CID 6427879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).