9-hexylidenefluorene

C19H20 — CID 58121399

IUPAC9-hexylidenefluorene
SMILESCCCCCC=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20/c1-2-3-4-5-10-15-16-11-6-8-13-18(16)19-14-9-7-12-17(15)19/h6-14H,2-5H2,1H3
InChIKeyWBHUUUOPGWHQIT-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.68
Rot. Bonds4

About 9-hexylidenefluorene

9-hexylidenefluorene (PubChem CID 58121399) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 9-hexylidenefluorene.

Molecular Properties

Compound Name9-hexylidenefluorene
PubChem CID58121399
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name9-hexylidenefluorene
SMILESCCCCCC=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20/c1-2-3-4-5-10-15-16-11-6-8-13-18(16)19-14-9-7-12-17(15)19/h6-14H,2-5H2,1H3
InChIKeyWBHUUUOPGWHQIT-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.68
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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Related Compounds

(1E)-1-hexylideneindene
CID 173434056
14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 18917166
(3E)-3-hexylidene-1H-2-benzofuran
CID 134982783
ethyl 3-[4-(4-fluoren-9-ylidenebutoxy)phenyl]-2-hexoxypropanoate
CID 23446005
(9E,20E)-9,20-di(hexadecylidene)-5,16-dithiahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-1,3(10),4(8),6,11,13,15(19),17,21-nonaene
CID 129228261
9-butylidene-2,7-bis(4-phenylphenyl)fluorene
CID 141305540
11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 102290615
(3Z)-3-pentylidene-2-benzoselenophen-1-one
CID 10563615
3-[4-(4-fluoren-9-ylidenebutoxy)phenyl]-2-propoxypropanoic acid
CID 23445778
(2E)-2-pentylidenenaphthalen-1-one
CID 69085981
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133

Frequently Asked Questions

What is the IUPAC name of 9-hexylidenefluorene?
The IUPAC name of 9-hexylidenefluorene (CID 58121399) is 9-hexylidenefluorene.
What is the SMILES notation for 9-hexylidenefluorene?
The canonical SMILES for 9-hexylidenefluorene is CCCCCC=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-hexylidenefluorene?
The InChIKey is WBHUUUOPGWHQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-2-3-4-5-10-15-16-11-6-8-13-18(16)19-14-9-7-12-17(15)19/h6-14H,2-5H2,1H3.
What are the key properties of 9-hexylidenefluorene?
9-hexylidenefluorene has a molecular weight of 248.37 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexylidenefluorene is sourced from PubChem (CID 58121399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).