9-cyclohexyl-9-methylfluorene

C20H22 — CID 4115492

IUPAC9-cyclohexyl-9-methylfluorene
SMILESCC1(C2CCCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22/c1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h5-8,11-15H,2-4,9-10H2,1H3
InChIKeyLSLMRJQHMXQNEF-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.55
Rot. Bonds1

About 9-cyclohexyl-9-methylfluorene

9-cyclohexyl-9-methylfluorene (PubChem CID 4115492) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 9-cyclohexyl-9-methylfluorene.

Molecular Properties

Compound Name9-cyclohexyl-9-methylfluorene
PubChem CID4115492
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name9-cyclohexyl-9-methylfluorene
SMILESCC1(C2CCCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22/c1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h5-8,11-15H,2-4,9-10H2,1H3
InChIKeyLSLMRJQHMXQNEF-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-9-methylfluorene?
The IUPAC name of 9-cyclohexyl-9-methylfluorene (CID 4115492) is 9-cyclohexyl-9-methylfluorene.
What is the SMILES notation for 9-cyclohexyl-9-methylfluorene?
The canonical SMILES for 9-cyclohexyl-9-methylfluorene is CC1(C2CCCCC2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-cyclohexyl-9-methylfluorene?
The InChIKey is LSLMRJQHMXQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h5-8,11-15H,2-4,9-10H2,1H3.
What are the key properties of 9-cyclohexyl-9-methylfluorene?
9-cyclohexyl-9-methylfluorene has a molecular weight of 262.40 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-9-methylfluorene is sourced from PubChem (CID 4115492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).