2,3-dibromo-3-methylbutan-1-ol

C5H10Br2O — CID 18920971

IUPAC2,3-dibromo-3-methylbutan-1-ol
SMILESCC(C)(Br)C(Br)CO
InChIInChI=1S/C5H10Br2O/c1-5(2,7)4(6)3-8/h4,8H,3H2,1-2H3
InChIKeyLMGPFXRHXHKQCR-UHFFFAOYSA-N
MW245.94 g/mol
LogP1.92
Rot. Bonds2

About 2,3-dibromo-3-methylbutan-1-ol

2,3-dibromo-3-methylbutan-1-ol (PubChem CID 18920971) has the molecular formula C5H10Br2O and a molecular weight of 245.94 g/mol. Its IUPAC name is 2,3-dibromo-3-methylbutan-1-ol.

Molecular Properties

Compound Name2,3-dibromo-3-methylbutan-1-ol
PubChem CID18920971
Molecular FormulaC5H10Br2O
Molecular Weight245.94 g/mol
Exact Mass243.91
IUPAC Name2,3-dibromo-3-methylbutan-1-ol
SMILESCC(C)(Br)C(Br)CO
InChIInChI=1S/C5H10Br2O/c1-5(2,7)4(6)3-8/h4,8H,3H2,1-2H3
InChIKeyLMGPFXRHXHKQCR-UHFFFAOYSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.94
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,3-dibromo-3-methylbutan-1-ol?
The IUPAC name of 2,3-dibromo-3-methylbutan-1-ol (CID 18920971) is 2,3-dibromo-3-methylbutan-1-ol.
What is the SMILES notation for 2,3-dibromo-3-methylbutan-1-ol?
The canonical SMILES for 2,3-dibromo-3-methylbutan-1-ol is CC(C)(Br)C(Br)CO.
What is the InChIKey of 2,3-dibromo-3-methylbutan-1-ol?
The InChIKey is LMGPFXRHXHKQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2O/c1-5(2,7)4(6)3-8/h4,8H,3H2,1-2H3.
What are the key properties of 2,3-dibromo-3-methylbutan-1-ol?
2,3-dibromo-3-methylbutan-1-ol has a molecular weight of 245.94 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3-methylbutan-1-ol is sourced from PubChem (CID 18920971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).