(6E)-9-bromo-2,6-dimethylnona-2,6-diene

C11H19Br — CID 12051808

IUPAC(6E)-9-bromo-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCBr
InChIInChI=1S/C11H19Br/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyVUHRDQPTNUIRMC-DHZHZOJOSA-N
MW231.18 g/mol
LogP4.46
Rot. Bonds5

About (6E)-9-bromo-2,6-dimethylnona-2,6-diene

(6E)-9-bromo-2,6-dimethylnona-2,6-diene (PubChem CID 12051808) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is (6E)-9-bromo-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6E)-9-bromo-2,6-dimethylnona-2,6-diene
PubChem CID12051808
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name(6E)-9-bromo-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCBr
InChIInChI=1S/C11H19Br/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyVUHRDQPTNUIRMC-DHZHZOJOSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.46
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 (6E)-9-bromo-2,6-dimethylnona-2,6-diene?
The IUPAC name of (6E)-9-bromo-2,6-dimethylnona-2,6-diene (CID 12051808) is (6E)-9-bromo-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (6E)-9-bromo-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (6E)-9-bromo-2,6-dimethylnona-2,6-diene is CC(C)=CCC/C(C)=C/CCBr.
What is the InChIKey of (6E)-9-bromo-2,6-dimethylnona-2,6-diene?
The InChIKey is VUHRDQPTNUIRMC-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H19Br/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7,9H2,1-3H3/b11-8+.
What are the key properties of (6E)-9-bromo-2,6-dimethylnona-2,6-diene?
(6E)-9-bromo-2,6-dimethylnona-2,6-diene has a molecular weight of 231.18 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-9-bromo-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 12051808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).