3,4-dibromo-3-methylbutan-1-ol

C5H10Br2O — CID 13227856

IUPAC3,4-dibromo-3-methylbutan-1-ol
SMILESCC(Br)(CBr)CCO
InChIInChI=1S/C5H10Br2O/c1-5(7,4-6)2-3-8/h8H,2-4H2,1H3
InChIKeyUITHMRIQPLQXDC-UHFFFAOYSA-N
MW245.94 g/mol
LogP1.92
Rot. Bonds3

About 3,4-dibromo-3-methylbutan-1-ol

3,4-dibromo-3-methylbutan-1-ol (PubChem CID 13227856) has the molecular formula C5H10Br2O and a molecular weight of 245.94 g/mol. Its IUPAC name is 3,4-dibromo-3-methylbutan-1-ol.

Molecular Properties

Compound Name3,4-dibromo-3-methylbutan-1-ol
PubChem CID13227856
Molecular FormulaC5H10Br2O
Molecular Weight245.94 g/mol
Exact Mass243.91
IUPAC Name3,4-dibromo-3-methylbutan-1-ol
SMILESCC(Br)(CBr)CCO
InChIInChI=1S/C5H10Br2O/c1-5(7,4-6)2-3-8/h8H,2-4H2,1H3
InChIKeyUITHMRIQPLQXDC-UHFFFAOYSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 3,4-dibromo-3-methylbutan-1-ol?
The IUPAC name of 3,4-dibromo-3-methylbutan-1-ol (CID 13227856) is 3,4-dibromo-3-methylbutan-1-ol.
What is the SMILES notation for 3,4-dibromo-3-methylbutan-1-ol?
The canonical SMILES for 3,4-dibromo-3-methylbutan-1-ol is CC(Br)(CBr)CCO.
What is the InChIKey of 3,4-dibromo-3-methylbutan-1-ol?
The InChIKey is UITHMRIQPLQXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2O/c1-5(7,4-6)2-3-8/h8H,2-4H2,1H3.
What are the key properties of 3,4-dibromo-3-methylbutan-1-ol?
3,4-dibromo-3-methylbutan-1-ol has a molecular weight of 245.94 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-3-methylbutan-1-ol is sourced from PubChem (CID 13227856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).