1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane

C10H21BrO — CID 13491371

IUPAC1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)(C)OCCCCCCBr
InChIInChI=1S/C10H21BrO/c1-10(2,3)12-9-7-5-4-6-8-11/h4-9H2,1-3H3
InChIKeyTXCMHTLKKDFPMC-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.76
Rot. Bonds6

About 1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane

1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 13491371) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID13491371
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)(C)OCCCCCCBr
InChIInChI=1S/C10H21BrO/c1-10(2,3)12-9-7-5-4-6-8-11/h4-9H2,1-3H3
InChIKeyTXCMHTLKKDFPMC-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.76
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-bromo-6-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane (CID 13491371) is 1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane is CC(C)(C)OCCCCCCBr.
What is the InChIKey of 1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is TXCMHTLKKDFPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-10(2,3)12-9-7-5-4-6-8-11/h4-9H2,1-3H3.
What are the key properties of 1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane?
1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 237.18 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 13491371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).