1,1,2,2-tetrabromobutan-1-ol

C4H6Br4O — CID 54074195

IUPAC1,1,2,2-tetrabromobutan-1-ol
SMILESCCC(Br)(Br)C(O)(Br)Br
InChIInChI=1S/C4H6Br4O/c1-2-3(5,6)4(7,8)9/h9H,2H2,1H3
InChIKeyMIOCUFKWFXNWQB-UHFFFAOYSA-N
MW389.71 g/mol
LogP3.32
Rot. Bonds2

About 1,1,2,2-tetrabromobutan-1-ol

1,1,2,2-tetrabromobutan-1-ol (PubChem CID 54074195) has the molecular formula C4H6Br4O and a molecular weight of 389.71 g/mol. Its IUPAC name is 1,1,2,2-tetrabromobutan-1-ol.

Molecular Properties

Compound Name1,1,2,2-tetrabromobutan-1-ol
PubChem CID54074195
Molecular FormulaC4H6Br4O
Molecular Weight389.71 g/mol
Exact Mass385.72
IUPAC Name1,1,2,2-tetrabromobutan-1-ol
SMILESCCC(Br)(Br)C(O)(Br)Br
InChIInChI=1S/C4H6Br4O/c1-2-3(5,6)4(7,8)9/h9H,2H2,1H3
InChIKeyMIOCUFKWFXNWQB-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.71
LogP ≤ 53.32
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 1,1,2,2-tetrabromobutan-1-ol?
The IUPAC name of 1,1,2,2-tetrabromobutan-1-ol (CID 54074195) is 1,1,2,2-tetrabromobutan-1-ol.
What is the SMILES notation for 1,1,2,2-tetrabromobutan-1-ol?
The canonical SMILES for 1,1,2,2-tetrabromobutan-1-ol is CCC(Br)(Br)C(O)(Br)Br.
What is the InChIKey of 1,1,2,2-tetrabromobutan-1-ol?
The InChIKey is MIOCUFKWFXNWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br4O/c1-2-3(5,6)4(7,8)9/h9H,2H2,1H3.
What are the key properties of 1,1,2,2-tetrabromobutan-1-ol?
1,1,2,2-tetrabromobutan-1-ol has a molecular weight of 389.71 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrabromobutan-1-ol is sourced from PubChem (CID 54074195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).