(3E)-8-bromo-7,7-dimethylocta-1,3-diene

C10H17Br — CID 165443094

IUPAC(3E)-8-bromo-7,7-dimethylocta-1,3-diene
SMILESC=C/C=C/CCC(C)(C)CBr
InChIInChI=1S/C10H17Br/c1-4-5-6-7-8-10(2,3)9-11/h4-6H,1,7-9H2,2-3H3/b6-5+
InChIKeyBBDAZCCCKRFUDD-AATRIKPKSA-N
MW217.15 g/mol
LogP3.93
Rot. Bonds5

About (3E)-8-bromo-7,7-dimethylocta-1,3-diene

(3E)-8-bromo-7,7-dimethylocta-1,3-diene (PubChem CID 165443094) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is (3E)-8-bromo-7,7-dimethylocta-1,3-diene.

Molecular Properties

Compound Name(3E)-8-bromo-7,7-dimethylocta-1,3-diene
PubChem CID165443094
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name(3E)-8-bromo-7,7-dimethylocta-1,3-diene
SMILESC=C/C=C/CCC(C)(C)CBr
InChIInChI=1S/C10H17Br/c1-4-5-6-7-8-10(2,3)9-11/h4-6H,1,7-9H2,2-3H3/b6-5+
InChIKeyBBDAZCCCKRFUDD-AATRIKPKSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-8-bromo-7,7-dimethylocta-1,3-diene?
The IUPAC name of (3E)-8-bromo-7,7-dimethylocta-1,3-diene (CID 165443094) is (3E)-8-bromo-7,7-dimethylocta-1,3-diene.
What is the SMILES notation for (3E)-8-bromo-7,7-dimethylocta-1,3-diene?
The canonical SMILES for (3E)-8-bromo-7,7-dimethylocta-1,3-diene is C=C/C=C/CCC(C)(C)CBr.
What is the InChIKey of (3E)-8-bromo-7,7-dimethylocta-1,3-diene?
The InChIKey is BBDAZCCCKRFUDD-AATRIKPKSA-N. The full InChI is InChI=1S/C10H17Br/c1-4-5-6-7-8-10(2,3)9-11/h4-6H,1,7-9H2,2-3H3/b6-5+.
What are the key properties of (3E)-8-bromo-7,7-dimethylocta-1,3-diene?
(3E)-8-bromo-7,7-dimethylocta-1,3-diene has a molecular weight of 217.15 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-8-bromo-7,7-dimethylocta-1,3-diene is sourced from PubChem (CID 165443094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).