3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane

C14H28Br2O — CID 56637905

IUPAC3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane
SMILESCCCC(Br)C(C)(C)OC(C)(C)C(Br)CCC
InChIInChI=1S/C14H28Br2O/c1-7-9-11(15)13(3,4)17-14(5,6)12(16)10-8-2/h11-12H,7-10H2,1-6H3
InChIKeyQOMNVTIGWGCFPN-UHFFFAOYSA-N
MW372.19 g/mol
LogP5.69
Rot. Bonds8

About 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane

3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane (PubChem CID 56637905) has the molecular formula C14H28Br2O and a molecular weight of 372.19 g/mol. Its IUPAC name is 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane.

Molecular Properties

Compound Name3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane
PubChem CID56637905
Molecular FormulaC14H28Br2O
Molecular Weight372.19 g/mol
Exact Mass370.05
IUPAC Name3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane
SMILESCCCC(Br)C(C)(C)OC(C)(C)C(Br)CCC
InChIInChI=1S/C14H28Br2O/c1-7-9-11(15)13(3,4)17-14(5,6)12(16)10-8-2/h11-12H,7-10H2,1-6H3
InChIKeyQOMNVTIGWGCFPN-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.19
LogP ≤ 55.69
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 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane?
The IUPAC name of 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane (CID 56637905) is 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane.
What is the SMILES notation for 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane?
The canonical SMILES for 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane is CCCC(Br)C(C)(C)OC(C)(C)C(Br)CCC.
What is the InChIKey of 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane?
The InChIKey is QOMNVTIGWGCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Br2O/c1-7-9-11(15)13(3,4)17-14(5,6)12(16)10-8-2/h11-12H,7-10H2,1-6H3.
What are the key properties of 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane?
3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane has a molecular weight of 372.19 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane is sourced from PubChem (CID 56637905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).