9,9-dihexyl-2-methylfluorene

C26H36 — CID 20717371

IUPAC9,9-dihexyl-2-methylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C26H36/c1-4-6-8-12-18-26(19-13-9-7-5-2)24-15-11-10-14-22(24)23-17-16-21(3)20-25(23)26/h10-11,14-17,20H,4-9,12-13,18-19H2,1-3H3
InChIKeyNSZFZMZPORFBKO-UHFFFAOYSA-N
MW348.57 g/mol
LogP8.20
Rot. Bonds10

About 9,9-dihexyl-2-methylfluorene

9,9-dihexyl-2-methylfluorene (PubChem CID 20717371) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 9,9-dihexyl-2-methylfluorene.

Molecular Properties

Compound Name9,9-dihexyl-2-methylfluorene
PubChem CID20717371
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name9,9-dihexyl-2-methylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C26H36/c1-4-6-8-12-18-26(19-13-9-7-5-2)24-15-11-10-14-22(24)23-17-16-21(3)20-25(23)26/h10-11,14-17,20H,4-9,12-13,18-19H2,1-3H3
InChIKeyNSZFZMZPORFBKO-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 58.20
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 9,9-dihexyl-2-methylfluorene?
The IUPAC name of 9,9-dihexyl-2-methylfluorene (CID 20717371) is 9,9-dihexyl-2-methylfluorene.
What is the SMILES notation for 9,9-dihexyl-2-methylfluorene?
The canonical SMILES for 9,9-dihexyl-2-methylfluorene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(C)cc21.
What is the InChIKey of 9,9-dihexyl-2-methylfluorene?
The InChIKey is NSZFZMZPORFBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-4-6-8-12-18-26(19-13-9-7-5-2)24-15-11-10-14-22(24)23-17-16-21(3)20-25(23)26/h10-11,14-17,20H,4-9,12-13,18-19H2,1-3H3.
What are the key properties of 9,9-dihexyl-2-methylfluorene?
9,9-dihexyl-2-methylfluorene has a molecular weight of 348.57 g/mol, XLogP of 8.20, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihexyl-2-methylfluorene is sourced from PubChem (CID 20717371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).