1,1-dibromo-4,4-dimethylocta-1,7-diene

C10H16Br2 — CID 21261658

IUPAC1,1-dibromo-4,4-dimethylocta-1,7-diene
SMILESC=CCCC(C)(C)CC=C(Br)Br
InChIInChI=1S/C10H16Br2/c1-4-5-7-10(2,3)8-6-9(11)12/h4,6H,1,5,7-8H2,2-3H3
InChIKeyBQJYOYXMTPGUMG-UHFFFAOYSA-N
MW296.05 g/mol
LogP5.00
Rot. Bonds5

About 1,1-dibromo-4,4-dimethylocta-1,7-diene

1,1-dibromo-4,4-dimethylocta-1,7-diene (PubChem CID 21261658) has the molecular formula C10H16Br2 and a molecular weight of 296.05 g/mol. Its IUPAC name is 1,1-dibromo-4,4-dimethylocta-1,7-diene.

Molecular Properties

Compound Name1,1-dibromo-4,4-dimethylocta-1,7-diene
PubChem CID21261658
Molecular FormulaC10H16Br2
Molecular Weight296.05 g/mol
Exact Mass293.96
IUPAC Name1,1-dibromo-4,4-dimethylocta-1,7-diene
SMILESC=CCCC(C)(C)CC=C(Br)Br
InChIInChI=1S/C10H16Br2/c1-4-5-7-10(2,3)8-6-9(11)12/h4,6H,1,5,7-8H2,2-3H3
InChIKeyBQJYOYXMTPGUMG-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.05
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-4,4-dimethylocta-1,7-diene?
The IUPAC name of 1,1-dibromo-4,4-dimethylocta-1,7-diene (CID 21261658) is 1,1-dibromo-4,4-dimethylocta-1,7-diene.
What is the SMILES notation for 1,1-dibromo-4,4-dimethylocta-1,7-diene?
The canonical SMILES for 1,1-dibromo-4,4-dimethylocta-1,7-diene is C=CCCC(C)(C)CC=C(Br)Br.
What is the InChIKey of 1,1-dibromo-4,4-dimethylocta-1,7-diene?
The InChIKey is BQJYOYXMTPGUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2/c1-4-5-7-10(2,3)8-6-9(11)12/h4,6H,1,5,7-8H2,2-3H3.
What are the key properties of 1,1-dibromo-4,4-dimethylocta-1,7-diene?
1,1-dibromo-4,4-dimethylocta-1,7-diene has a molecular weight of 296.05 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-4,4-dimethylocta-1,7-diene is sourced from PubChem (CID 21261658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).