1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane

C12H24Br2O — CID 57225912

IUPAC1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane
SMILESCC(C)(CCCBr)OC(C)(C)CCCBr
InChIInChI=1S/C12H24Br2O/c1-11(2,7-5-9-13)15-12(3,4)8-6-10-14/h5-10H2,1-4H3
InChIKeyHIYALCFVPGPNBP-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.91
Rot. Bonds8

About 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane

1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane (PubChem CID 57225912) has the molecular formula C12H24Br2O and a molecular weight of 344.13 g/mol. Its IUPAC name is 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane.

Molecular Properties

Compound Name1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane
PubChem CID57225912
Molecular FormulaC12H24Br2O
Molecular Weight344.13 g/mol
Exact Mass342.02
IUPAC Name1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane
SMILESCC(C)(CCCBr)OC(C)(C)CCCBr
InChIInChI=1S/C12H24Br2O/c1-11(2,7-5-9-13)15-12(3,4)8-6-10-14/h5-10H2,1-4H3
InChIKeyHIYALCFVPGPNBP-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane?
The IUPAC name of 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane (CID 57225912) is 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane.
What is the SMILES notation for 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane?
The canonical SMILES for 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane is CC(C)(CCCBr)OC(C)(C)CCCBr.
What is the InChIKey of 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane?
The InChIKey is HIYALCFVPGPNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Br2O/c1-11(2,7-5-9-13)15-12(3,4)8-6-10-14/h5-10H2,1-4H3.
What are the key properties of 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane?
1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane has a molecular weight of 344.13 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(5-bromo-2-methylpentan-2-yl)oxy-4-methylpentane is sourced from PubChem (CID 57225912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).