2,2,3-tribromohexane-1,1,1-triol

C6H11Br3O3 — CID 118275749

IUPAC2,2,3-tribromohexane-1,1,1-triol
SMILESCCCC(Br)C(Br)(Br)C(O)(O)O
InChIInChI=1S/C6H11Br3O3/c1-2-3-4(7)5(8,9)6(10,11)12/h4,10-12H,2-3H2,1H3
InChIKeyOLIPSHDVXYWLSK-UHFFFAOYSA-N
MW370.86 g/mol
LogP1.67
Rot. Bonds4

About 2,2,3-tribromohexane-1,1,1-triol

2,2,3-tribromohexane-1,1,1-triol (PubChem CID 118275749) has the molecular formula C6H11Br3O3 and a molecular weight of 370.86 g/mol. Its IUPAC name is 2,2,3-tribromohexane-1,1,1-triol.

Molecular Properties

Compound Name2,2,3-tribromohexane-1,1,1-triol
PubChem CID118275749
Molecular FormulaC6H11Br3O3
Molecular Weight370.86 g/mol
Exact Mass367.83
IUPAC Name2,2,3-tribromohexane-1,1,1-triol
SMILESCCCC(Br)C(Br)(Br)C(O)(O)O
InChIInChI=1S/C6H11Br3O3/c1-2-3-4(7)5(8,9)6(10,11)12/h4,10-12H,2-3H2,1H3
InChIKeyOLIPSHDVXYWLSK-UHFFFAOYSA-N
XLogP1.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-tribromohexane-1,1,1-triol?
The IUPAC name of 2,2,3-tribromohexane-1,1,1-triol (CID 118275749) is 2,2,3-tribromohexane-1,1,1-triol.
What is the SMILES notation for 2,2,3-tribromohexane-1,1,1-triol?
The canonical SMILES for 2,2,3-tribromohexane-1,1,1-triol is CCCC(Br)C(Br)(Br)C(O)(O)O.
What is the InChIKey of 2,2,3-tribromohexane-1,1,1-triol?
The InChIKey is OLIPSHDVXYWLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br3O3/c1-2-3-4(7)5(8,9)6(10,11)12/h4,10-12H,2-3H2,1H3.
What are the key properties of 2,2,3-tribromohexane-1,1,1-triol?
2,2,3-tribromohexane-1,1,1-triol has a molecular weight of 370.86 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-tribromohexane-1,1,1-triol is sourced from PubChem (CID 118275749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).