1,3,5,6-tetrabromohexane-2,4-diol

C6H10Br4O2 — CID 619017

IUPAC1,3,5,6-tetrabromohexane-2,4-diol
SMILESOC(CBr)C(Br)C(O)C(Br)CBr
InChIInChI=1S/C6H10Br4O2/c7-1-3(9)6(12)5(10)4(11)2-8/h3-6,11-12H,1-2H2
InChIKeyAZHQESOSXYTRHB-UHFFFAOYSA-N
MW433.76 g/mol
LogP2.03
Rot. Bonds5

About 1,3,5,6-tetrabromohexane-2,4-diol

1,3,5,6-tetrabromohexane-2,4-diol (PubChem CID 619017) has the molecular formula C6H10Br4O2 and a molecular weight of 433.76 g/mol. Its IUPAC name is 1,3,5,6-tetrabromohexane-2,4-diol.

Molecular Properties

Compound Name1,3,5,6-tetrabromohexane-2,4-diol
PubChem CID619017
Molecular FormulaC6H10Br4O2
Molecular Weight433.76 g/mol
Exact Mass429.74
IUPAC Name1,3,5,6-tetrabromohexane-2,4-diol
SMILESOC(CBr)C(Br)C(O)C(Br)CBr
InChIInChI=1S/C6H10Br4O2/c7-1-3(9)6(12)5(10)4(11)2-8/h3-6,11-12H,1-2H2
InChIKeyAZHQESOSXYTRHB-UHFFFAOYSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.76
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetrabromohexane-2,4-diol?
The IUPAC name of 1,3,5,6-tetrabromohexane-2,4-diol (CID 619017) is 1,3,5,6-tetrabromohexane-2,4-diol.
What is the SMILES notation for 1,3,5,6-tetrabromohexane-2,4-diol?
The canonical SMILES for 1,3,5,6-tetrabromohexane-2,4-diol is OC(CBr)C(Br)C(O)C(Br)CBr.
What is the InChIKey of 1,3,5,6-tetrabromohexane-2,4-diol?
The InChIKey is AZHQESOSXYTRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br4O2/c7-1-3(9)6(12)5(10)4(11)2-8/h3-6,11-12H,1-2H2.
What are the key properties of 1,3,5,6-tetrabromohexane-2,4-diol?
1,3,5,6-tetrabromohexane-2,4-diol has a molecular weight of 433.76 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetrabromohexane-2,4-diol is sourced from PubChem (CID 619017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).