2-non-8-ynyl-9H-fluorene

C22H24 — CID 18927529

IUPAC2-non-8-ynyl-9H-fluorene
SMILESC#CCCCCCCCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H24/c1-2-3-4-5-6-7-8-11-18-14-15-22-20(16-18)17-19-12-9-10-13-21(19)22/h1,9-10,12-16H,3-8,11,17H2
InChIKeyFWEHYNOJDPEMKC-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.77
Rot. Bonds7

About 2-non-8-ynyl-9H-fluorene

2-non-8-ynyl-9H-fluorene (PubChem CID 18927529) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-non-8-ynyl-9H-fluorene.

Molecular Properties

Compound Name2-non-8-ynyl-9H-fluorene
PubChem CID18927529
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name2-non-8-ynyl-9H-fluorene
SMILESC#CCCCCCCCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H24/c1-2-3-4-5-6-7-8-11-18-14-15-22-20(16-18)17-19-12-9-10-13-21(19)22/h1,9-10,12-16H,3-8,11,17H2
InChIKeyFWEHYNOJDPEMKC-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-non-8-ynyl-9H-fluorene?
The IUPAC name of 2-non-8-ynyl-9H-fluorene (CID 18927529) is 2-non-8-ynyl-9H-fluorene.
What is the SMILES notation for 2-non-8-ynyl-9H-fluorene?
The canonical SMILES for 2-non-8-ynyl-9H-fluorene is C#CCCCCCCCc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-non-8-ynyl-9H-fluorene?
The InChIKey is FWEHYNOJDPEMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-2-3-4-5-6-7-8-11-18-14-15-22-20(16-18)17-19-12-9-10-13-21(19)22/h1,9-10,12-16H,3-8,11,17H2.
What are the key properties of 2-non-8-ynyl-9H-fluorene?
2-non-8-ynyl-9H-fluorene has a molecular weight of 288.43 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-8-ynyl-9H-fluorene is sourced from PubChem (CID 18927529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).