4-bromo-2-(2-bromoethyl)butan-1-ol

C6H12Br2O — CID 144850163

IUPAC4-bromo-2-(2-bromoethyl)butan-1-ol
SMILESOCC(CCBr)CCBr
InChIInChI=1S/C6H12Br2O/c7-3-1-6(5-9)2-4-8/h6,9H,1-5H2
InChIKeyQDKFZMLURQHNJY-UHFFFAOYSA-N
MW259.97 g/mol
LogP2.16
Rot. Bonds5

About 4-bromo-2-(2-bromoethyl)butan-1-ol

4-bromo-2-(2-bromoethyl)butan-1-ol (PubChem CID 144850163) has the molecular formula C6H12Br2O and a molecular weight of 259.97 g/mol. Its IUPAC name is 4-bromo-2-(2-bromoethyl)butan-1-ol.

Molecular Properties

Compound Name4-bromo-2-(2-bromoethyl)butan-1-ol
PubChem CID144850163
Molecular FormulaC6H12Br2O
Molecular Weight259.97 g/mol
Exact Mass257.93
IUPAC Name4-bromo-2-(2-bromoethyl)butan-1-ol
SMILESOCC(CCBr)CCBr
InChIInChI=1S/C6H12Br2O/c7-3-1-6(5-9)2-4-8/h6,9H,1-5H2
InChIKeyQDKFZMLURQHNJY-UHFFFAOYSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.97
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-(2-bromoethyl)propane-1,3-diol
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(2S)-2-(bromomethyl)butan-1-ol
CID 142696213
1,3-dibromopropan-1-ol
CID 18177636
(3R)-5-bromo-3-methylpentan-1-ol
CID 139766878
CID 59269692
CID 59269692
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CID 13412266
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CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-nonylundecan-1-ol
CID 14397092
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CID 175595463

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-bromoethyl)butan-1-ol?
The IUPAC name of 4-bromo-2-(2-bromoethyl)butan-1-ol (CID 144850163) is 4-bromo-2-(2-bromoethyl)butan-1-ol.
What is the SMILES notation for 4-bromo-2-(2-bromoethyl)butan-1-ol?
The canonical SMILES for 4-bromo-2-(2-bromoethyl)butan-1-ol is OCC(CCBr)CCBr.
What is the InChIKey of 4-bromo-2-(2-bromoethyl)butan-1-ol?
The InChIKey is QDKFZMLURQHNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2O/c7-3-1-6(5-9)2-4-8/h6,9H,1-5H2.
What are the key properties of 4-bromo-2-(2-bromoethyl)butan-1-ol?
4-bromo-2-(2-bromoethyl)butan-1-ol has a molecular weight of 259.97 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-bromoethyl)butan-1-ol is sourced from PubChem (CID 144850163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).