2,5-dibromohexane-3,4-diol

C6H12Br2O2 — CID 102249432

IUPAC2,5-dibromohexane-3,4-diol
SMILESCC(Br)C(O)C(O)C(C)Br
InChIInChI=1S/C6H12Br2O2/c1-3(7)5(9)6(10)4(2)8/h3-6,9-10H,1-2H3
InChIKeyDVUONZINUDLWKQ-UHFFFAOYSA-N
MW275.97 g/mol
LogP1.27
Rot. Bonds3

About 2,5-dibromohexane-3,4-diol

2,5-dibromohexane-3,4-diol (PubChem CID 102249432) has the molecular formula C6H12Br2O2 and a molecular weight of 275.97 g/mol. Its IUPAC name is 2,5-dibromohexane-3,4-diol.

Molecular Properties

Compound Name2,5-dibromohexane-3,4-diol
PubChem CID102249432
Molecular FormulaC6H12Br2O2
Molecular Weight275.97 g/mol
Exact Mass273.92
IUPAC Name2,5-dibromohexane-3,4-diol
SMILESCC(Br)C(O)C(O)C(C)Br
InChIInChI=1S/C6H12Br2O2/c1-3(7)5(9)6(10)4(2)8/h3-6,9-10H,1-2H3
InChIKeyDVUONZINUDLWKQ-UHFFFAOYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.97
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,3-tribromobutan-2-ol
CID 23054816
4,5-dibromo-2-methylhexan-3-ol
CID 18921056
(2S,3S)-2,3-dibromobutane
CID 23270428
1,1-dibromo-3-methylbutan-2-ol
CID 15089986
1-hydroxyethyl hypobromite
CID 141268184
azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate
CID 6393939
2-bromo-1-(4-propan-2-ylphenyl)propan-1-ol
CID 116863280
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
(4S)-2,4-dibromo-3-methylpentane
CID 163722400
(2S,3S,4R,5R)-1,2,5,6-tetrabromohexane-3,4-diol
CID 98532644
(1S)-1-(dimethylamino)ethanol
CID 93477761
(2S,3R)-3-bromobutan-2-amine
CID 13495075

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromohexane-3,4-diol?
The IUPAC name of 2,5-dibromohexane-3,4-diol (CID 102249432) is 2,5-dibromohexane-3,4-diol.
What is the SMILES notation for 2,5-dibromohexane-3,4-diol?
The canonical SMILES for 2,5-dibromohexane-3,4-diol is CC(Br)C(O)C(O)C(C)Br.
What is the InChIKey of 2,5-dibromohexane-3,4-diol?
The InChIKey is DVUONZINUDLWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2O2/c1-3(7)5(9)6(10)4(2)8/h3-6,9-10H,1-2H3.
What are the key properties of 2,5-dibromohexane-3,4-diol?
2,5-dibromohexane-3,4-diol has a molecular weight of 275.97 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromohexane-3,4-diol is sourced from PubChem (CID 102249432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).