7-bromo-5-methyl-6-methylidenenona-2,4,7-triene

C11H15Br — CID 123192453

IUPAC7-bromo-5-methyl-6-methylidenenona-2,4,7-triene
SMILESC=C(C(C)=CC=CC)C(Br)=CC
InChIInChI=1S/C11H15Br/c1-5-7-8-9(3)10(4)11(12)6-2/h5-8H,4H2,1-3H3
InChIKeyBFVHJNQCFUFNPO-UHFFFAOYSA-N
MW227.14 g/mol
LogP4.36
Rot. Bonds3

About 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene

7-bromo-5-methyl-6-methylidenenona-2,4,7-triene (PubChem CID 123192453) has the molecular formula C11H15Br and a molecular weight of 227.14 g/mol. Its IUPAC name is 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene.

Molecular Properties

Compound Name7-bromo-5-methyl-6-methylidenenona-2,4,7-triene
PubChem CID123192453
Molecular FormulaC11H15Br
Molecular Weight227.14 g/mol
Exact Mass226.04
IUPAC Name7-bromo-5-methyl-6-methylidenenona-2,4,7-triene
SMILESC=C(C(C)=CC=CC)C(Br)=CC
InChIInChI=1S/C11H15Br/c1-5-7-8-9(3)10(4)11(12)6-2/h5-8H,4H2,1-3H3
InChIKeyBFVHJNQCFUFNPO-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene?
The IUPAC name of 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene (CID 123192453) is 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene.
What is the SMILES notation for 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene?
The canonical SMILES for 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene is C=C(C(C)=CC=CC)C(Br)=CC.
What is the InChIKey of 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene?
The InChIKey is BFVHJNQCFUFNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br/c1-5-7-8-9(3)10(4)11(12)6-2/h5-8H,4H2,1-3H3.
What are the key properties of 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene?
7-bromo-5-methyl-6-methylidenenona-2,4,7-triene has a molecular weight of 227.14 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-6-methylidenenona-2,4,7-triene is sourced from PubChem (CID 123192453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).