3-pent-4-ynyl-9H-fluorene

C18H16 — CID 18927532

IUPAC3-pent-4-ynyl-9H-fluorene
SMILESC#CCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C18H16/c1-2-3-4-7-14-10-11-16-13-15-8-5-6-9-17(15)18(16)12-14/h1,5-6,8-12H,3-4,7,13H2
InChIKeyQCCHBHUALAPWMN-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.21
Rot. Bonds3

About 3-pent-4-ynyl-9H-fluorene

3-pent-4-ynyl-9H-fluorene (PubChem CID 18927532) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-pent-4-ynyl-9H-fluorene.

Molecular Properties

Compound Name3-pent-4-ynyl-9H-fluorene
PubChem CID18927532
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name3-pent-4-ynyl-9H-fluorene
SMILESC#CCCCc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C18H16/c1-2-3-4-7-14-10-11-16-13-15-8-5-6-9-17(15)18(16)12-14/h1,5-6,8-12H,3-4,7,13H2
InChIKeyQCCHBHUALAPWMN-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.21
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 3-pent-4-ynyl-9H-fluorene?
The IUPAC name of 3-pent-4-ynyl-9H-fluorene (CID 18927532) is 3-pent-4-ynyl-9H-fluorene.
What is the SMILES notation for 3-pent-4-ynyl-9H-fluorene?
The canonical SMILES for 3-pent-4-ynyl-9H-fluorene is C#CCCCc1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 3-pent-4-ynyl-9H-fluorene?
The InChIKey is QCCHBHUALAPWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-2-3-4-7-14-10-11-16-13-15-8-5-6-9-17(15)18(16)12-14/h1,5-6,8-12H,3-4,7,13H2.
What are the key properties of 3-pent-4-ynyl-9H-fluorene?
3-pent-4-ynyl-9H-fluorene has a molecular weight of 232.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-ynyl-9H-fluorene is sourced from PubChem (CID 18927532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).