1,2-bis(hex-1-enyl)-9H-fluorene

C25H30 — CID 157322113

IUPAC1,2-bis(hex-1-enyl)-9H-fluorene
SMILESCCCCC=Cc1ccc2c(c1C=CCCCC)Cc1ccccc1-2
InChIInChI=1S/C25H30/c1-3-5-7-9-13-20-17-18-24-23-16-12-11-14-21(23)19-25(24)22(20)15-10-8-6-4-2/h9-18H,3-8,19H2,1-2H3
InChIKeyJLQQWFQWOGBGOC-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.66
Rot. Bonds8

About 1,2-bis(hex-1-enyl)-9H-fluorene

1,2-bis(hex-1-enyl)-9H-fluorene (PubChem CID 157322113) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1,2-bis(hex-1-enyl)-9H-fluorene.

Molecular Properties

Compound Name1,2-bis(hex-1-enyl)-9H-fluorene
PubChem CID157322113
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name1,2-bis(hex-1-enyl)-9H-fluorene
SMILESCCCCC=Cc1ccc2c(c1C=CCCCC)Cc1ccccc1-2
InChIInChI=1S/C25H30/c1-3-5-7-9-13-20-17-18-24-23-16-12-11-14-21(23)19-25(24)22(20)15-10-8-6-4-2/h9-18H,3-8,19H2,1-2H3
InChIKeyJLQQWFQWOGBGOC-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.66
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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(hex-1-enyl)-9H-fluorene?
The IUPAC name of 1,2-bis(hex-1-enyl)-9H-fluorene (CID 157322113) is 1,2-bis(hex-1-enyl)-9H-fluorene.
What is the SMILES notation for 1,2-bis(hex-1-enyl)-9H-fluorene?
The canonical SMILES for 1,2-bis(hex-1-enyl)-9H-fluorene is CCCCC=Cc1ccc2c(c1C=CCCCC)Cc1ccccc1-2.
What is the InChIKey of 1,2-bis(hex-1-enyl)-9H-fluorene?
The InChIKey is JLQQWFQWOGBGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-3-5-7-9-13-20-17-18-24-23-16-12-11-14-21(23)19-25(24)22(20)15-10-8-6-4-2/h9-18H,3-8,19H2,1-2H3.
What are the key properties of 1,2-bis(hex-1-enyl)-9H-fluorene?
1,2-bis(hex-1-enyl)-9H-fluorene has a molecular weight of 330.52 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(hex-1-enyl)-9H-fluorene is sourced from PubChem (CID 157322113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).