1-bromo-4-(2,3-dibromopropoxy)butane

C7H13Br3O — CID 139648605

IUPAC1-bromo-4-(2,3-dibromopropoxy)butane
SMILESBrCCCCOCC(Br)CBr
InChIInChI=1S/C7H13Br3O/c8-3-1-2-4-11-6-7(10)5-9/h7H,1-6H2
InChIKeyWISCNTYLKGHVDO-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.34
Rot. Bonds7

About 1-bromo-4-(2,3-dibromopropoxy)butane

1-bromo-4-(2,3-dibromopropoxy)butane (PubChem CID 139648605) has the molecular formula C7H13Br3O and a molecular weight of 352.89 g/mol. Its IUPAC name is 1-bromo-4-(2,3-dibromopropoxy)butane.

Molecular Properties

Compound Name1-bromo-4-(2,3-dibromopropoxy)butane
PubChem CID139648605
Molecular FormulaC7H13Br3O
Molecular Weight352.89 g/mol
Exact Mass349.85
IUPAC Name1-bromo-4-(2,3-dibromopropoxy)butane
SMILESBrCCCCOCC(Br)CBr
InChIInChI=1S/C7H13Br3O/c8-3-1-2-4-11-6-7(10)5-9/h7H,1-6H2
InChIKeyWISCNTYLKGHVDO-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane
CID 154093304
(2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane
CID 98134035
1,2-dibromo-3-(2,3-dibromopropoxymethoxy)propane
CID 12585580
1,5-bis(4-bromobutoxy)pentane
CID 139648570
1,8-bis(4-bromobutoxy)octane
CID 139648501
1,4-bis(4-bromobutoxy)butan-2-ol
CID 139648584
2,3-bis(12-bromododecoxy)propan-1-ol
CID 10674851
1-[2,3-bis(4-bromobutoxy)propoxy]hexadecane
CID 139648498
1,2,7-tribromoheptane
CID 140914987
1,2,8-tribromooctane
CID 166642867
1-(6-bromohexoxy)-5-methylhexane
CID 19987541
1-bromo-7-heptoxyheptane
CID 59707760

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,3-dibromopropoxy)butane?
The IUPAC name of 1-bromo-4-(2,3-dibromopropoxy)butane (CID 139648605) is 1-bromo-4-(2,3-dibromopropoxy)butane.
What is the SMILES notation for 1-bromo-4-(2,3-dibromopropoxy)butane?
The canonical SMILES for 1-bromo-4-(2,3-dibromopropoxy)butane is BrCCCCOCC(Br)CBr.
What is the InChIKey of 1-bromo-4-(2,3-dibromopropoxy)butane?
The InChIKey is WISCNTYLKGHVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br3O/c8-3-1-2-4-11-6-7(10)5-9/h7H,1-6H2.
What are the key properties of 1-bromo-4-(2,3-dibromopropoxy)butane?
1-bromo-4-(2,3-dibromopropoxy)butane has a molecular weight of 352.89 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,3-dibromopropoxy)butane is sourced from PubChem (CID 139648605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).