(3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene

C11H16Br2 — CID 11483643

IUPAC(3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene
SMILESCC(C)=CCC/C(C)=C/C=C(Br)Br
InChIInChI=1S/C11H16Br2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKeyRDCFTXBKRJRPEM-JXMROGBWSA-N
MW308.06 g/mol
LogP5.31
Rot. Bonds4

About (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene

(3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene (PubChem CID 11483643) has the molecular formula C11H16Br2 and a molecular weight of 308.06 g/mol. Its IUPAC name is (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene.

Molecular Properties

Compound Name(3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene
PubChem CID11483643
Molecular FormulaC11H16Br2
Molecular Weight308.06 g/mol
Exact Mass305.96
IUPAC Name(3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene
SMILESCC(C)=CCC/C(C)=C/C=C(Br)Br
InChIInChI=1S/C11H16Br2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKeyRDCFTXBKRJRPEM-JXMROGBWSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.06
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene?
The IUPAC name of (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene (CID 11483643) is (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene.
What is the SMILES notation for (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene?
The canonical SMILES for (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene is CC(C)=CCC/C(C)=C/C=C(Br)Br.
What is the InChIKey of (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene?
The InChIKey is RDCFTXBKRJRPEM-JXMROGBWSA-N. The full InChI is InChI=1S/C11H16Br2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,7-8H,4,6H2,1-3H3/b10-7+.
What are the key properties of (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene?
(3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene has a molecular weight of 308.06 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene is sourced from PubChem (CID 11483643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).