1-bromo-5-(5-bromopentylsulfonyl)pentane

C10H20Br2O2S — CID 134822120

IUPAC1-bromo-5-(5-bromopentylsulfonyl)pentane
SMILESO=S(=O)(CCCCCBr)CCCCCBr
InChIInChI=1S/C10H20Br2O2S/c11-7-3-1-5-9-15(13,14)10-6-2-4-8-12/h1-10H2
InChIKeyUUHJUTYUMSLIMF-UHFFFAOYSA-N
MW364.14 g/mol
LogP3.53
Rot. Bonds10

About 1-bromo-5-(5-bromopentylsulfonyl)pentane

1-bromo-5-(5-bromopentylsulfonyl)pentane (PubChem CID 134822120) has the molecular formula C10H20Br2O2S and a molecular weight of 364.14 g/mol. Its IUPAC name is 1-bromo-5-(5-bromopentylsulfonyl)pentane.

Molecular Properties

Compound Name1-bromo-5-(5-bromopentylsulfonyl)pentane
PubChem CID134822120
Molecular FormulaC10H20Br2O2S
Molecular Weight364.14 g/mol
Exact Mass361.96
IUPAC Name1-bromo-5-(5-bromopentylsulfonyl)pentane
SMILESO=S(=O)(CCCCCBr)CCCCCBr
InChIInChI=1S/C10H20Br2O2S/c11-7-3-1-5-9-15(13,14)10-6-2-4-8-12/h1-10H2
InChIKeyUUHJUTYUMSLIMF-UHFFFAOYSA-N
XLogP3.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-5-(ethanesulfonyl)pentane
CID 64208737
2-Bromoheptyl bromomethyl sulfone
CID 20240590
2,3-Dibromopropyl sulfone
CID 119092697
1-[(3-Bromopropyl)sulfonyl]octane
CID 12518305
4-Bromobutyl octyl sulfone
CID 12518319
1,2-Dibromoethyl butyl sulfone
CID 12749391
1,2-Dibromoethyl decyl sulfone
CID 13521810
2,5-Bis(bromomethyl)thiolane 1,1-dioxide
CID 73073732
1-Bromo-5-propan-2-ylsulfinylpentane
CID 134994903
1-Bromo-5-propylsulfinylpentane
CID 134994991
1-Bromo-3-propylsulfonylpropane
CID 12518300
1-(3-Bromopropylsulfonyl)butane
CID 12518301

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(5-bromopentylsulfonyl)pentane?
The IUPAC name of 1-bromo-5-(5-bromopentylsulfonyl)pentane (CID 134822120) is 1-bromo-5-(5-bromopentylsulfonyl)pentane.
What is the SMILES notation for 1-bromo-5-(5-bromopentylsulfonyl)pentane?
The canonical SMILES for 1-bromo-5-(5-bromopentylsulfonyl)pentane is O=S(=O)(CCCCCBr)CCCCCBr.
What is the InChIKey of 1-bromo-5-(5-bromopentylsulfonyl)pentane?
The InChIKey is UUHJUTYUMSLIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Br2O2S/c11-7-3-1-5-9-15(13,14)10-6-2-4-8-12/h1-10H2.
What are the key properties of 1-bromo-5-(5-bromopentylsulfonyl)pentane?
1-bromo-5-(5-bromopentylsulfonyl)pentane has a molecular weight of 364.14 g/mol, XLogP of 3.53, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(5-bromopentylsulfonyl)pentane is sourced from PubChem (CID 134822120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).