1,4-dibromo-2,6-dimethylhept-2-ene

C9H16Br2 — CID 54067675

IUPAC1,4-dibromo-2,6-dimethylhept-2-ene
SMILESCC(=CC(Br)CC(C)C)CBr
InChIInChI=1S/C9H16Br2/c1-7(2)4-9(11)5-8(3)6-10/h5,7,9H,4,6H2,1-3H3
InChIKeyMEEJQDAPHQFVTO-UHFFFAOYSA-N
MW284.04 g/mol
LogP4.14
Rot. Bonds4

About 1,4-dibromo-2,6-dimethylhept-2-ene

1,4-dibromo-2,6-dimethylhept-2-ene (PubChem CID 54067675) has the molecular formula C9H16Br2 and a molecular weight of 284.04 g/mol. Its IUPAC name is 1,4-dibromo-2,6-dimethylhept-2-ene.

Molecular Properties

Compound Name1,4-dibromo-2,6-dimethylhept-2-ene
PubChem CID54067675
Molecular FormulaC9H16Br2
Molecular Weight284.04 g/mol
Exact Mass281.96
IUPAC Name1,4-dibromo-2,6-dimethylhept-2-ene
SMILESCC(=CC(Br)CC(C)C)CBr
InChIInChI=1S/C9H16Br2/c1-7(2)4-9(11)5-8(3)6-10/h5,7,9H,4,6H2,1-3H3
InChIKeyMEEJQDAPHQFVTO-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.04
LogP ≤ 54.14
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 1,4-dibromo-2,6-dimethylhept-2-ene?
The IUPAC name of 1,4-dibromo-2,6-dimethylhept-2-ene (CID 54067675) is 1,4-dibromo-2,6-dimethylhept-2-ene.
What is the SMILES notation for 1,4-dibromo-2,6-dimethylhept-2-ene?
The canonical SMILES for 1,4-dibromo-2,6-dimethylhept-2-ene is CC(=CC(Br)CC(C)C)CBr.
What is the InChIKey of 1,4-dibromo-2,6-dimethylhept-2-ene?
The InChIKey is MEEJQDAPHQFVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Br2/c1-7(2)4-9(11)5-8(3)6-10/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 1,4-dibromo-2,6-dimethylhept-2-ene?
1,4-dibromo-2,6-dimethylhept-2-ene has a molecular weight of 284.04 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,6-dimethylhept-2-ene is sourced from PubChem (CID 54067675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).