5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol

C10H20Br2O4S — CID 88781223

IUPAC5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol
SMILESO=S(=O)(C(O)CCCCBr)C(O)CCCCBr
InChIInChI=1S/C10H20Br2O4S/c11-7-3-1-5-9(13)17(15,16)10(14)6-2-4-8-12/h9-10,13-14H,1-8H2
InChIKeyAVQXFQWBEOGQAK-UHFFFAOYSA-N
MW396.14 g/mol
LogP2.17
Rot. Bonds10

About 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol

5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol (PubChem CID 88781223) has the molecular formula C10H20Br2O4S and a molecular weight of 396.14 g/mol. Its IUPAC name is 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol.

Molecular Properties

Compound Name5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol
PubChem CID88781223
Molecular FormulaC10H20Br2O4S
Molecular Weight396.14 g/mol
Exact Mass393.94
IUPAC Name5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol
SMILESO=S(=O)(C(O)CCCCBr)C(O)CCCCBr
InChIInChI=1S/C10H20Br2O4S/c11-7-3-1-5-9(13)17(15,16)10(14)6-2-4-8-12/h9-10,13-14H,1-8H2
InChIKeyAVQXFQWBEOGQAK-UHFFFAOYSA-N
XLogP2.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.14
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol?
The IUPAC name of 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol (CID 88781223) is 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol.
What is the SMILES notation for 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol?
The canonical SMILES for 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol is O=S(=O)(C(O)CCCCBr)C(O)CCCCBr.
What is the InChIKey of 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol?
The InChIKey is AVQXFQWBEOGQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Br2O4S/c11-7-3-1-5-9(13)17(15,16)10(14)6-2-4-8-12/h9-10,13-14H,1-8H2.
What are the key properties of 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol?
5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol has a molecular weight of 396.14 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(5-bromo-1-hydroxypentyl)sulfonylpentan-1-ol is sourced from PubChem (CID 88781223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).