(11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene

C16H15Br — CID 89389483

IUPAC(11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene
SMILESBrC1CCC/C=C\c2ccc3ccccc3c21
InChIInChI=1S/C16H15Br/c17-15-9-3-1-2-7-13-11-10-12-6-4-5-8-14(12)16(13)15/h2,4-8,10-11,15H,1,3,9H2/b7-2-
InChIKeyVSMNWKSOCDPROW-UQCOIBPSSA-N
MW287.20 g/mol
LogP5.47
Rot. Bonds

About (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene

(11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene (PubChem CID 89389483) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene.

Molecular Properties

Compound Name(11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene
PubChem CID89389483
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name(11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene
SMILESBrC1CCC/C=C\c2ccc3ccccc3c21
InChIInChI=1S/C16H15Br/c17-15-9-3-1-2-7-13-11-10-12-6-4-5-8-14(12)16(13)15/h2,4-8,10-11,15H,1,3,9H2/b7-2-
InChIKeyVSMNWKSOCDPROW-UQCOIBPSSA-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 (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene?
The IUPAC name of (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene (CID 89389483) is (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene.
What is the SMILES notation for (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene?
The canonical SMILES for (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene is BrC1CCC/C=C\c2ccc3ccccc3c21.
What is the InChIKey of (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene?
The InChIKey is VSMNWKSOCDPROW-UQCOIBPSSA-N. The full InChI is InChI=1S/C16H15Br/c17-15-9-3-1-2-7-13-11-10-12-6-4-5-8-14(12)16(13)15/h2,4-8,10-11,15H,1,3,9H2/b7-2-.
What are the key properties of (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene?
(11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-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 (11Z)-16-bromotricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,11-hexaene is sourced from PubChem (CID 89389483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).