11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene

C16H15Br — CID 123273491

IUPAC11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene
SMILESBrC1CCCC=Cc2c1ccc1ccccc21
InChIInChI=1S/C16H15Br/c17-16-9-3-1-2-8-14-13-7-5-4-6-12(13)10-11-15(14)16/h2,4-8,10-11,16H,1,3,9H2
InChIKeyVYAUXJSPTGZPJH-UHFFFAOYSA-N
MW287.20 g/mol
LogP5.47
Rot. Bonds

About 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene

11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene (PubChem CID 123273491) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene.

Molecular Properties

Compound Name11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene
PubChem CID123273491
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene
SMILESBrC1CCCC=Cc2c1ccc1ccccc21
InChIInChI=1S/C16H15Br/c17-16-9-3-1-2-8-14-13-7-5-4-6-12(13)10-11-15(14)16/h2,4-8,10-11,16H,1,3,9H2
InChIKeyVYAUXJSPTGZPJH-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.20
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene?
The IUPAC name of 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene (CID 123273491) is 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene.
What is the SMILES notation for 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene?
The canonical SMILES for 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene is BrC1CCCC=Cc2c1ccc1ccccc21.
What is the InChIKey of 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene?
The InChIKey is VYAUXJSPTGZPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br/c17-16-9-3-1-2-8-14-13-7-5-4-6-12(13)10-11-15(14)16/h2,4-8,10-11,16H,1,3,9H2.
What are the key properties of 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene?
11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene has a molecular weight of 287.20 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,15-hexaene is sourced from PubChem (CID 123273491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).