1-bromo-3-(3-bromopropoxy)propane

C6H12Br2O — CID 11230705

IUPAC1-bromo-3-(3-bromopropoxy)propane
SMILESBrCCCOCCCBr
InChIInChI=1S/C6H12Br2O/c7-3-1-5-9-6-2-4-8/h1-6H2
InChIKeyGOKUDEWVRNZXDZ-UHFFFAOYSA-N
MW259.97 g/mol
LogP2.57
Rot. Bonds6

About 1-bromo-3-(3-bromopropoxy)propane

1-bromo-3-(3-bromopropoxy)propane (PubChem CID 11230705) has the molecular formula C6H12Br2O and a molecular weight of 259.97 g/mol. Its IUPAC name is 1-bromo-3-(3-bromopropoxy)propane.

Molecular Properties

Compound Name1-bromo-3-(3-bromopropoxy)propane
PubChem CID11230705
Molecular FormulaC6H12Br2O
Molecular Weight259.97 g/mol
Exact Mass257.93
IUPAC Name1-bromo-3-(3-bromopropoxy)propane
SMILESBrCCCOCCCBr
InChIInChI=1S/C6H12Br2O/c7-3-1-5-9-6-2-4-8/h1-6H2
InChIKeyGOKUDEWVRNZXDZ-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.97
LogP ≤ 52.57
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

Bis(2-bromoethyl) ether
CID 21521
1-Bromo-3-ethoxypropane
CID 260493
1-Bromo-3-methoxypropane
CID 524551
1-Bromo-4-ethoxybutane
CID 6427573
Ethane, 1,2-dibromo-1-ethoxy-
CID 102915
1,2-Dibromo-3-methoxypropane
CID 13108534
Butane, 1,1'-oxybis(4-bromo-
CID 146015
1-(2-Bromoethoxy)propane
CID 2734184
1-Bromo-3-(bromomethoxy)propane
CID 20225548
1,2-Dibromo-3-ethoxypropane
CID 12430086
2,2-Dibromodiethyl ether
CID 12554925
1,2-Dibromo-3-(2,3-dibromopropoxy)propane
CID 13108538

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromopropoxy)propane?
The IUPAC name of 1-bromo-3-(3-bromopropoxy)propane (CID 11230705) is 1-bromo-3-(3-bromopropoxy)propane.
What is the SMILES notation for 1-bromo-3-(3-bromopropoxy)propane?
The canonical SMILES for 1-bromo-3-(3-bromopropoxy)propane is BrCCCOCCCBr.
What is the InChIKey of 1-bromo-3-(3-bromopropoxy)propane?
The InChIKey is GOKUDEWVRNZXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2O/c7-3-1-5-9-6-2-4-8/h1-6H2.
What are the key properties of 1-bromo-3-(3-bromopropoxy)propane?
1-bromo-3-(3-bromopropoxy)propane has a molecular weight of 259.97 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromopropoxy)propane is sourced from PubChem (CID 11230705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).