1-bromo-7,7-dideuterioundecane

C11H23Br — CID 11075452

IUPAC1-bromo-7,7-dideuterioundecane
SMILES[2H]C([2H])(CCCC)CCCCCCBr
InChIInChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3/i5D2
InChIKeyIKPSIIAXIDAQLG-BFWBPSQCSA-N
MW237.22 g/mol
LogP4.91
Rot. Bonds9

About 1-bromo-7,7-dideuterioundecane

1-bromo-7,7-dideuterioundecane (PubChem CID 11075452) has the molecular formula C11H23Br and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-bromo-7,7-dideuterioundecane.

Molecular Properties

Compound Name1-bromo-7,7-dideuterioundecane
PubChem CID11075452
Molecular FormulaC11H23Br
Molecular Weight237.22 g/mol
Exact Mass236.11
IUPAC Name1-bromo-7,7-dideuterioundecane
SMILES[2H]C([2H])(CCCC)CCCCCCBr
InChIInChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3/i5D2
InChIKeyIKPSIIAXIDAQLG-BFWBPSQCSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7,7-dideuterioundecane?
The IUPAC name of 1-bromo-7,7-dideuterioundecane (CID 11075452) is 1-bromo-7,7-dideuterioundecane.
What is the SMILES notation for 1-bromo-7,7-dideuterioundecane?
The canonical SMILES for 1-bromo-7,7-dideuterioundecane is [2H]C([2H])(CCCC)CCCCCCBr.
What is the InChIKey of 1-bromo-7,7-dideuterioundecane?
The InChIKey is IKPSIIAXIDAQLG-BFWBPSQCSA-N. The full InChI is InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3/i5D2.
What are the key properties of 1-bromo-7,7-dideuterioundecane?
1-bromo-7,7-dideuterioundecane has a molecular weight of 237.22 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7,7-dideuterioundecane is sourced from PubChem (CID 11075452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).