1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane

C10H18Br4O — CID 20547444

IUPAC1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane
SMILESCC(Br)C(C)C(Br)OC(Br)C(C)C(C)Br
InChIInChI=1S/C10H18Br4O/c1-5(7(3)11)9(13)15-10(14)6(2)8(4)12/h5-10H,1-4H3
InChIKeyMAYDCWOJAVCOAI-UHFFFAOYSA-N
MW473.87 g/mol
LogP5.28
Rot. Bonds6

About 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane

1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane (PubChem CID 20547444) has the molecular formula C10H18Br4O and a molecular weight of 473.87 g/mol. Its IUPAC name is 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane.

Molecular Properties

Compound Name1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane
PubChem CID20547444
Molecular FormulaC10H18Br4O
Molecular Weight473.87 g/mol
Exact Mass469.81
IUPAC Name1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane
SMILESCC(Br)C(C)C(Br)OC(Br)C(C)C(C)Br
InChIInChI=1S/C10H18Br4O/c1-5(7(3)11)9(13)15-10(14)6(2)8(4)12/h5-10H,1-4H3
InChIKeyMAYDCWOJAVCOAI-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.87
LogP ≤ 55.28
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 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane?
The IUPAC name of 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane (CID 20547444) is 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane.
What is the SMILES notation for 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane?
The canonical SMILES for 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane is CC(Br)C(C)C(Br)OC(Br)C(C)C(C)Br.
What is the InChIKey of 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane?
The InChIKey is MAYDCWOJAVCOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br4O/c1-5(7(3)11)9(13)15-10(14)6(2)8(4)12/h5-10H,1-4H3.
What are the key properties of 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane?
1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane has a molecular weight of 473.87 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1-(1,3-dibromo-2-methylbutoxy)-2-methylbutane is sourced from PubChem (CID 20547444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).