1,5-dibromo-1-(1,5-dibromopentoxy)pentane

C10H18Br4O — CID 57245607

IUPAC1,5-dibromo-1-(1,5-dibromopentoxy)pentane
SMILESBrCCCCC(Br)OC(Br)CCCCBr
InChIInChI=1S/C10H18Br4O/c11-7-3-1-5-9(13)15-10(14)6-2-4-8-12/h9-10H,1-8H2
InChIKeyFBCCHTNMTOHAQH-UHFFFAOYSA-N
MW473.87 g/mol
LogP5.58
Rot. Bonds10

About 1,5-dibromo-1-(1,5-dibromopentoxy)pentane

1,5-dibromo-1-(1,5-dibromopentoxy)pentane (PubChem CID 57245607) has the molecular formula C10H18Br4O and a molecular weight of 473.87 g/mol. Its IUPAC name is 1,5-dibromo-1-(1,5-dibromopentoxy)pentane.

Molecular Properties

Compound Name1,5-dibromo-1-(1,5-dibromopentoxy)pentane
PubChem CID57245607
Molecular FormulaC10H18Br4O
Molecular Weight473.87 g/mol
Exact Mass469.81
IUPAC Name1,5-dibromo-1-(1,5-dibromopentoxy)pentane
SMILESBrCCCCC(Br)OC(Br)CCCCBr
InChIInChI=1S/C10H18Br4O/c11-7-3-1-5-9(13)15-10(14)6-2-4-8-12/h9-10H,1-8H2
InChIKeyFBCCHTNMTOHAQH-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.87
LogP ≤ 55.58
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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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-1-(1,5-dibromopentoxy)pentane?
The IUPAC name of 1,5-dibromo-1-(1,5-dibromopentoxy)pentane (CID 57245607) is 1,5-dibromo-1-(1,5-dibromopentoxy)pentane.
What is the SMILES notation for 1,5-dibromo-1-(1,5-dibromopentoxy)pentane?
The canonical SMILES for 1,5-dibromo-1-(1,5-dibromopentoxy)pentane is BrCCCCC(Br)OC(Br)CCCCBr.
What is the InChIKey of 1,5-dibromo-1-(1,5-dibromopentoxy)pentane?
The InChIKey is FBCCHTNMTOHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br4O/c11-7-3-1-5-9(13)15-10(14)6-2-4-8-12/h9-10H,1-8H2.
What are the key properties of 1,5-dibromo-1-(1,5-dibromopentoxy)pentane?
1,5-dibromo-1-(1,5-dibromopentoxy)pentane has a molecular weight of 473.87 g/mol, XLogP of 5.58, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-1-(1,5-dibromopentoxy)pentane is sourced from PubChem (CID 57245607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).