3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol

C8H16Br2O4S — CID 88779379

IUPAC3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol
SMILESCC(Br)CC(O)S(=O)(=O)C(O)CC(C)Br
InChIInChI=1S/C8H16Br2O4S/c1-5(9)3-7(11)15(13,14)8(12)4-6(2)10/h5-8,11-12H,3-4H2,1-2H3
InChIKeyQHRBLPQACZILBH-UHFFFAOYSA-N
MW368.09 g/mol
LogP1.38
Rot. Bonds6

About 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol

3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol (PubChem CID 88779379) has the molecular formula C8H16Br2O4S and a molecular weight of 368.09 g/mol. Its IUPAC name is 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol.

Molecular Properties

Compound Name3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol
PubChem CID88779379
Molecular FormulaC8H16Br2O4S
Molecular Weight368.09 g/mol
Exact Mass365.91
IUPAC Name3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol
SMILESCC(Br)CC(O)S(=O)(=O)C(O)CC(C)Br
InChIInChI=1S/C8H16Br2O4S/c1-5(9)3-7(11)15(13,14)8(12)4-6(2)10/h5-8,11-12H,3-4H2,1-2H3
InChIKeyQHRBLPQACZILBH-UHFFFAOYSA-N
XLogP1.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.09
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-(4-bromo-1-hydroxybutyl)sulfonylbutan-1-ol
CID 54140790
2-bromo-4,7-dimethyloctane
CID 64718592
2-bromo-4-methyl-6-methylideneoctane
CID 66037621
3-bromo-2-methylpropane-1-sulfonic acid
CID 173458122
1-bromopropan-2-ol
CID 29740
(2R)-2-bromopropan-1-ol
CID 12579096
1,7-dibromo-3,5-dimethylheptane
CID 155037332
2-bromo-4-methylundecane
CID 64721914
1,5-dihydroxy-4-methylpentane-2-sulfonic acid
CID 87342373
4-amino-2-methylpentane-1-sulfonic acid
CID 89285888
6-tert-butylsulfonyl-4-methylhexan-2-ol
CID 106732458
1-(2-hydroxyethylsulfonyl)ethanol
CID 154214581

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol?
The IUPAC name of 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol (CID 88779379) is 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol.
What is the SMILES notation for 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol?
The canonical SMILES for 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol is CC(Br)CC(O)S(=O)(=O)C(O)CC(C)Br.
What is the InChIKey of 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol?
The InChIKey is QHRBLPQACZILBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2O4S/c1-5(9)3-7(11)15(13,14)8(12)4-6(2)10/h5-8,11-12H,3-4H2,1-2H3.
What are the key properties of 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol?
3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol has a molecular weight of 368.09 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-bromo-1-hydroxybutyl)sulfonylbutan-1-ol is sourced from PubChem (CID 88779379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).