1-bromobutane;1,6-dibromohexane

C10H21Br3 — CID 175305637

IUPAC1-bromobutane;1,6-dibromohexane
SMILESBrCCCCCCBr.CCCCBr
InChIInChI=1S/C6H12Br2.C4H9Br/c7-5-3-1-2-4-6-8;1-2-3-4-5/h1-6H2;2-4H2,1H3
InChIKeyMODICOWDSLUDKI-UHFFFAOYSA-N
MW380.99 g/mol
LogP5.52
Rot. Bonds7

About 1-bromobutane;1,6-dibromohexane

1-bromobutane;1,6-dibromohexane (PubChem CID 175305637) has the molecular formula C10H21Br3 and a molecular weight of 380.99 g/mol. Its IUPAC name is 1-bromobutane;1,6-dibromohexane.

Molecular Properties

Compound Name1-bromobutane;1,6-dibromohexane
PubChem CID175305637
Molecular FormulaC10H21Br3
Molecular Weight380.99 g/mol
Exact Mass377.92
IUPAC Name1-bromobutane;1,6-dibromohexane
SMILESBrCCCCCCBr.CCCCBr
InChIInChI=1S/C6H12Br2.C4H9Br/c7-5-3-1-2-4-6-8;1-2-3-4-5/h1-6H2;2-4H2,1H3
InChIKeyMODICOWDSLUDKI-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.99
LogP ≤ 55.52
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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Related Compounds

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1-bromobutane;dihydrochloride
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CID 87070199
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Frequently Asked Questions

What is the IUPAC name of 1-bromobutane;1,6-dibromohexane?
The IUPAC name of 1-bromobutane;1,6-dibromohexane (CID 175305637) is 1-bromobutane;1,6-dibromohexane.
What is the SMILES notation for 1-bromobutane;1,6-dibromohexane?
The canonical SMILES for 1-bromobutane;1,6-dibromohexane is BrCCCCCCBr.CCCCBr.
What is the InChIKey of 1-bromobutane;1,6-dibromohexane?
The InChIKey is MODICOWDSLUDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2.C4H9Br/c7-5-3-1-2-4-6-8;1-2-3-4-5/h1-6H2;2-4H2,1H3.
What are the key properties of 1-bromobutane;1,6-dibromohexane?
1-bromobutane;1,6-dibromohexane has a molecular weight of 380.99 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromobutane;1,6-dibromohexane is sourced from PubChem (CID 175305637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).