9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene

C30H30 — CID 54177518

IUPAC9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene
SMILESC=CCC(CC)C1C(CCC2c3ccccc3-c3ccccc32)=Cc2ccccc21
InChIInChI=1S/C30H30/c1-3-11-21(4-2)30-23(20-22-12-5-6-13-24(22)30)18-19-29-27-16-9-7-14-25(27)26-15-8-10-17-28(26)29/h3,5-10,12-17,20-21,29-30H,1,4,11,18-19H2,2H3
InChIKeyOZLMANDSBJIIBQ-UHFFFAOYSA-N
MW390.57 g/mol
LogP8.36
Rot. Bonds7

About 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene

9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene (PubChem CID 54177518) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene.

Molecular Properties

Compound Name9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene
PubChem CID54177518
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene
SMILESC=CCC(CC)C1C(CCC2c3ccccc3-c3ccccc32)=Cc2ccccc21
InChIInChI=1S/C30H30/c1-3-11-21(4-2)30-23(20-22-12-5-6-13-24(22)30)18-19-29-27-16-9-7-14-25(27)26-15-8-10-17-28(26)29/h3,5-10,12-17,20-21,29-30H,1,4,11,18-19H2,2H3
InChIKeyOZLMANDSBJIIBQ-UHFFFAOYSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene?
The IUPAC name of 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene (CID 54177518) is 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene.
What is the SMILES notation for 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene?
The canonical SMILES for 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene is C=CCC(CC)C1C(CCC2c3ccccc3-c3ccccc32)=Cc2ccccc21.
What is the InChIKey of 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene?
The InChIKey is OZLMANDSBJIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30/c1-3-11-21(4-2)30-23(20-22-12-5-6-13-24(22)30)18-19-29-27-16-9-7-14-25(27)26-15-8-10-17-28(26)29/h3,5-10,12-17,20-21,29-30H,1,4,11,18-19H2,2H3.
What are the key properties of 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene?
9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene has a molecular weight of 390.57 g/mol, XLogP of 8.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1-hex-5-en-3-yl-1H-inden-2-yl)ethyl]-9H-fluorene is sourced from PubChem (CID 54177518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).