1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane

C12H24BrClO — CID 114773575

IUPAC1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane
SMILESCCCCCCCCOC(C)(CCl)CBr
InChIInChI=1S/C12H24BrClO/c1-3-4-5-6-7-8-9-15-12(2,10-13)11-14/h3-11H2,1-2H3
InChIKeyBMYRNTZNPYPGDX-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.76
Rot. Bonds10

About 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane

1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane (PubChem CID 114773575) has the molecular formula C12H24BrClO and a molecular weight of 299.68 g/mol. Its IUPAC name is 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane.

Molecular Properties

Compound Name1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane
PubChem CID114773575
Molecular FormulaC12H24BrClO
Molecular Weight299.68 g/mol
Exact Mass298.07
IUPAC Name1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane
SMILESCCCCCCCCOC(C)(CCl)CBr
InChIInChI=1S/C12H24BrClO/c1-3-4-5-6-7-8-9-15-12(2,10-13)11-14/h3-11H2,1-2H3
InChIKeyBMYRNTZNPYPGDX-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.76
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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Related Compounds

1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxy-3,3-dimethylbutane
CID 114774521
9-heptoxy-9-methylhenicosane
CID 91127088
2-decoxy-2-methylbutan-1-ol
CID 152517276
1-(trichloromethoxy)hexane
CID 87956638
tert-butyl N-(3-bromo-2-hexoxy-2-methylpropyl)-N-ethylcarbamate
CID 104969650
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
16-(10-fluorodecoxy)-16-methylhentriacontane
CID 139714709
2-hexoxy-N,2-dimethylbutan-1-amine
CID 62354031
azane;2-dodecoxypropan-2-ol
CID 87960511
2-dodecoxy-2-methyltetradecane
CID 158074564
N-ethyl-2-hexoxy-2-methylbutan-1-amine
CID 62354032

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane?
The IUPAC name of 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane (CID 114773575) is 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane.
What is the SMILES notation for 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane?
The canonical SMILES for 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane is CCCCCCCCOC(C)(CCl)CBr.
What is the InChIKey of 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane?
The InChIKey is BMYRNTZNPYPGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrClO/c1-3-4-5-6-7-8-9-15-12(2,10-13)11-14/h3-11H2,1-2H3.
What are the key properties of 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane?
1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane has a molecular weight of 299.68 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane is sourced from PubChem (CID 114773575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).