(1Z)-3-(bromomethyl)cyclooctene

C9H15Br — CID 20550258

IUPAC(1Z)-3-(bromomethyl)cyclooctene
SMILESBrCC1/C=C\CCCCC1
InChIInChI=1S/C9H15Br/c10-8-9-6-4-2-1-3-5-7-9/h4,6,9H,1-3,5,7-8H2/b6-4-
InChIKeyFCEKISZTTNMPLC-XQRVVYSFSA-N
MW203.12 g/mol
LogP3.52
Rot. Bonds1

About (1Z)-3-(bromomethyl)cyclooctene

(1Z)-3-(bromomethyl)cyclooctene (PubChem CID 20550258) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is (1Z)-3-(bromomethyl)cyclooctene.

Molecular Properties

Compound Name(1Z)-3-(bromomethyl)cyclooctene
PubChem CID20550258
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name(1Z)-3-(bromomethyl)cyclooctene
SMILESBrCC1/C=C\CCCCC1
InChIInChI=1S/C9H15Br/c10-8-9-6-4-2-1-3-5-7-9/h4,6,9H,1-3,5,7-8H2/b6-4-
InChIKeyFCEKISZTTNMPLC-XQRVVYSFSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-(bromomethyl)cyclooctene?
The IUPAC name of (1Z)-3-(bromomethyl)cyclooctene (CID 20550258) is (1Z)-3-(bromomethyl)cyclooctene.
What is the SMILES notation for (1Z)-3-(bromomethyl)cyclooctene?
The canonical SMILES for (1Z)-3-(bromomethyl)cyclooctene is BrCC1/C=C\CCCCC1.
What is the InChIKey of (1Z)-3-(bromomethyl)cyclooctene?
The InChIKey is FCEKISZTTNMPLC-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H15Br/c10-8-9-6-4-2-1-3-5-7-9/h4,6,9H,1-3,5,7-8H2/b6-4-.
What are the key properties of (1Z)-3-(bromomethyl)cyclooctene?
(1Z)-3-(bromomethyl)cyclooctene has a molecular weight of 203.12 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-(bromomethyl)cyclooctene is sourced from PubChem (CID 20550258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).