2-but-3-enyl-7-pent-4-enyl-9H-fluorene

C22H24 — CID 139836987

IUPAC2-but-3-enyl-7-pent-4-enyl-9H-fluorene
SMILESC=CCCCc1ccc2c(c1)Cc1cc(CCC=C)ccc1-2
InChIInChI=1S/C22H24/c1-3-5-7-9-18-11-13-22-20(15-18)16-19-14-17(8-6-4-2)10-12-21(19)22/h3-4,10-15H,1-2,5-9,16H2
InChIKeyCPZRDKYJBLSJIV-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.89
Rot. Bonds7

About 2-but-3-enyl-7-pent-4-enyl-9H-fluorene

2-but-3-enyl-7-pent-4-enyl-9H-fluorene (PubChem CID 139836987) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-but-3-enyl-7-pent-4-enyl-9H-fluorene.

Molecular Properties

Compound Name2-but-3-enyl-7-pent-4-enyl-9H-fluorene
PubChem CID139836987
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name2-but-3-enyl-7-pent-4-enyl-9H-fluorene
SMILESC=CCCCc1ccc2c(c1)Cc1cc(CCC=C)ccc1-2
InChIInChI=1S/C22H24/c1-3-5-7-9-18-11-13-22-20(15-18)16-19-14-17(8-6-4-2)10-12-21(19)22/h3-4,10-15H,1-2,5-9,16H2
InChIKeyCPZRDKYJBLSJIV-UHFFFAOYSA-N
XLogP5.89
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 ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-7-pent-4-enyl-9H-fluorene?
The IUPAC name of 2-but-3-enyl-7-pent-4-enyl-9H-fluorene (CID 139836987) is 2-but-3-enyl-7-pent-4-enyl-9H-fluorene.
What is the SMILES notation for 2-but-3-enyl-7-pent-4-enyl-9H-fluorene?
The canonical SMILES for 2-but-3-enyl-7-pent-4-enyl-9H-fluorene is C=CCCCc1ccc2c(c1)Cc1cc(CCC=C)ccc1-2.
What is the InChIKey of 2-but-3-enyl-7-pent-4-enyl-9H-fluorene?
The InChIKey is CPZRDKYJBLSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-3-5-7-9-18-11-13-22-20(15-18)16-19-14-17(8-6-4-2)10-12-21(19)22/h3-4,10-15H,1-2,5-9,16H2.
What are the key properties of 2-but-3-enyl-7-pent-4-enyl-9H-fluorene?
2-but-3-enyl-7-pent-4-enyl-9H-fluorene has a molecular weight of 288.43 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-7-pent-4-enyl-9H-fluorene is sourced from PubChem (CID 139836987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).